Geometry & MOs

Info

ID:	88859
PubChem CID:	49957315
Reduced:	NO2C21H21 (1)
Stoich.:	AB2C21D21 (1)
Weight, g/mol:	462.161329
ΔH_f, kcal/mol:	-23.95
Dipole, Da:	6.89
IP(EA), eV:	-8.38(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methoxyphenyl)-N-(4-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C=C1)NC(C3C2C=CC3)C4=CC=CC=C4OC

DOS

IR

Vibrations