Geometry & MOs

Info

ID:	358911
PubChem CID:	127296802
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-16.97
Dipole, Da:	1.29
IP(EA), eV:	-8.79(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2(CCCC2)CNC(=O)N3CCN(CC3)C4=NN=CC=C4

DOS

IR

Vibrations