Geometry & MOs

Info

ID:	241042
PubChem CID:	93621335
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-82.36
Dipole, Da:	3.62
IP(EA), eV:	-8.7(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-methoxyphenyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCNC(=O)[C@H](C1)NC(=O)N2CCCC3=CC=CC=C32

DOS

IR

Vibrations