Geometry & MOs

Info

ID:	329268
PubChem CID:	126733517
Reduced:	ISN4H19C21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	288.137497
ΔH_f, kcal/mol:	106.26
Dipole, Da:	6.42
IP(EA), eV:	-9.09(-2.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5,7-dimethyl-1H-indol-4-yl)amino]-3-(methylideneamino)benzonitrile

Drug info:

PubChemData

Smile

CCC1=C(C2=C(C(=C1)C)N(C=C2)SI)C(C)C3=NC4=C(N3)C=C(C=C4)C#N

DOS

IR

Vibrations