Geometry & MOs

Info

ID:	391281
PubChem CID:	135004086
Reduced:	NO5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	263.131014
ΔH_f, kcal/mol:	-100.27
Dipole, Da:	5.09
IP(EA), eV:	-9.15(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4-dimethylphenyl)indol-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)OC1=C(CCCC1)/C=C/CC(C(=O)C2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations