Geometry & MOs

Info

ID:	162386
PubChem CID:	57394513
Reduced:	ON2C21H26 (1)
Stoich.:	AB2C21D26 (1)
Weight, g/mol:	335.126136
ΔH_f, kcal/mol:	23.3
Dipole, Da:	0.69
IP(EA), eV:	-8.59(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(diaminomethylidene)-5-(2-phenylethylamino)pyrazine-2-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

C[C@H]\1[C@@H](N[C@@H](C/C1=N\OC)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C

DOS

IR

Vibrations