Geometry & MOs

Info

ID:

188261

PubChem CID:

77690811

Reduced:

N7O7C47H53 (1)

Stoich.:

A7B7C47D53 (1)

Weight, g/mol:

253.19026

ΔHf, kcal/mol:

-207.73

Dipole, Da:

7.72

IP(EA), eV:

 -8.61(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[C-[2-amino-2-[methyl(piperidin-3-yl)amino]ethenyl]-N-methylcarbonimidoyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C2=NC3=C(N2)C=C(C=C3)C4=CC5=C(C=C4)C6=C(C=C7C(=C6)C=CC8=C7N=C(N8)C9(CC(CN9C(=O)O)COC)C(C)(C)C)OC5)NC(=O)OC

DOS

IR

Vibrations