Geometry & MOs

Info

ID:	369097
PubChem CID:	127331257
Reduced:	OSN4C16H16 (1)
Stoich.:	ABC4D16E16 (1)
Weight, g/mol:	328.135782
ΔH_f, kcal/mol:	21.76
Dipole, Da:	4.53
IP(EA), eV:	-8.7(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1-benzothiophen-3-yl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC2=NC=NC=C21)C(=O)NC3CSC4=CC=CC=C34

DOS

IR

Vibrations