Geometry & MOs

Info

ID:	156824
PubChem CID:	56394555
Reduced:	ClOSN3C24H26 (1)
Stoich.:	ABCD3E24F26 (1)
Weight, g/mol:	416.196074
ΔH_f, kcal/mol:	5.78
Dipole, Da:	4.12
IP(EA), eV:	-8.85(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2CCC(C2)CNC(=O)CC3=CSC(=N3)CC4=CC=CC=C4

DOS

IR

Vibrations