Geometry & MOs

Info

ID:	354293
PubChem CID:	127286257
Reduced:	SN4O4C17H26 (1)
Stoich.:	AB4C4D17E26 (1)
Weight, g/mol:	373.166938
ΔH_f, kcal/mol:	-150.76
Dipole, Da:	6.66
IP(EA), eV:	-8.45(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-pyrazol-1-ylphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCN(CC1)C(=O)NC2=CN=C(C=C2)OC3CCCC3

DOS

IR

Vibrations