Geometry & MOs

Info

ID:	49968
PubChem CID:	11538479
Reduced:	ON5H21C24 (1)
Stoich.:	AB5C21D24 (1)
Weight, g/mol:	396.150764
ΔH_f, kcal/mol:	84.55
Dipole, Da:	4.22
IP(EA), eV:	-8.89(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-pentylphenyl)sulfonyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N(C)C2=CC=CC=C2)NC3=C(C=CC=N3)C4=NC=NC=C4

DOS

IR

Vibrations