Geometry & MOs

Info

ID:	133830
PubChem CID:	51596994
Reduced:	NO4C25H25 (1)
Stoich.:	AB4C25D25 (1)
Weight, g/mol:	368.109625
ΔH_f, kcal/mol:	-89.83
Dipole, Da:	4.13
IP(EA), eV:	-8.45(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)[C@@H](C2=CC=CC=C2)NC(=O)[C@H]3CC4=C(C(=CC=C4)OC)OC3

DOS

IR

Vibrations