Geometry & MOs

Info

ID:	194629
PubChem CID:	78565866
Reduced:	N2O4H16C19 (1)
Stoich.:	A2B4C16D19 (1)
Weight, g/mol:	300.126263
ΔH_f, kcal/mol:	-15.19
Dipole, Da:	8.15
IP(EA), eV:	-9.61(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-1H-indole-3-carbonyl)-3-(4-methylphenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC(=O)C(=CC=CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations