Geometry & MOs

Info

ID:	393917
PubChem CID:	135021956
Reduced:	O2N5H29C39 (1)
Stoich.:	A2B5C29D39 (1)
Weight, g/mol:	335.126991
ΔH_f, kcal/mol:	167.38
Dipole, Da:	2.78
IP(EA), eV:	-9.01(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(4-methoxyphenyl)methyl]-2-methyl-5-nitroindol-4-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=CC(=C2)C3=C(N=NC(=N3)C4=CC=CC(=N4)C5=CC=CC=N5)C6=CC(=CC=C6)OCC7=CC=CC=C7

DOS

IR

Vibrations