Geometry & MOs

Info

ID:	360386
PubChem CID:	127301031
Reduced:	SO2N5C18H21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	363.20591
ΔH_f, kcal/mol:	-17.4
Dipole, Da:	6.39
IP(EA), eV:	-8.88(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CCN2C(=O)CSC3=CC=CC=C32)N4C=NC=N4

DOS

IR

Vibrations