Geometry & MOs

Info

ID:

323434

PubChem CID:

126674802

Reduced:

N4H70C99 (1)

Stoich.:

A4B70C99 (1)

Weight, g/mol:

220.107259

ΔHf, kcal/mol:

403.85

Dipole, Da:

3.32

IP(EA), eV:

 -7.87(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-amino-6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC(=C1)C1=C2C3=CC=CC=C3N(C2=CC=C1)C1=CC=C(C=C1)C1=CC=C(C=C1)N(C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations