Geometry & MOs

Info

ID:	408822
PubChem CID:	135081592
Reduced:	ClNOC16H16 (1)
Stoich.:	ABCD16E16 (1)
Weight, g/mol:	610.077155
ΔH_f, kcal/mol:	-5.96
Dipole, Da:	4.04
IP(EA), eV:	-8.4(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C/C(=C/NC2=CC=CC=C2)/C1=O)Cl

DOS

IR

Vibrations