Geometry & MOs

Info

ID:	16008
PubChem CID:	457729
Reduced:	ClNOH8C13 (1)
Stoich.:	ABCD8E13 (1)
Weight, g/mol:	229.029442
ΔH_f, kcal/mol:	21.93
Dipole, Da:	2.36
IP(EA), eV:	-9.78(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(chloromethyl)indeno[1,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=NC=CC(=C3C2=O)CCl

DOS

IR

Vibrations