Geometry & MOs

Info

ID:	70985
PubChem CID:	48414145
Reduced:	O3N4C14H18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-98.04
Dipole, Da:	3.83
IP(EA), eV:	-9.35(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)OC)C)C(=O)NCC2=C(NN=C2)C

DOS

IR

Vibrations