Geometry & MOs

Info

ID:	396443
PubChem CID:	135028422
Reduced:	ON3H7C8 (1)
Stoich.:	AB3C7D8 (1)
Weight, g/mol:	419.163377
ΔH_f, kcal/mol:	66.78
Dipole, Da:	4.88
IP(EA), eV:	-8.73(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-amino-2-(1H-indole-3-carbonyl)-3-(4-methylphenyl)-5-oxo-5-phenylpent-3-enenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C/N=[N+]=[N-])/O

DOS

IR

Vibrations