Geometry & MOs

Info

ID:	126890
PubChem CID:	50983155
Reduced:	O2N3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-27.89
Dipole, Da:	6.2
IP(EA), eV:	-8.36(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)OC)C2=C(N=CN2CCC(=O)N)C3=CC=CC=C3

DOS

IR

Vibrations