Geometry & MOs

Info

ID:	368259
PubChem CID:	127327813
Reduced:	ON5C21H35 (1)
Stoich.:	AB5C21D35 (1)
Weight, g/mol:	340.135782
ΔH_f, kcal/mol:	-41.29
Dipole, Da:	2.89
IP(EA), eV:	-8.34(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzothiophen-3-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1CCN(CC1)C(=O)NCC2=CC(=NC=C2)N3CCN(CC3)C

DOS

IR

Vibrations