Geometry & MOs

Info

ID:	347134
PubChem CID:	127271638
Reduced:	OSN4C19H22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	23.97
Dipole, Da:	5.39
IP(EA), eV:	-9.22(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NCC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations