Geometry & MOs

Info

ID:	165198
PubChem CID:	74515667
Reduced:	FN2O4H15C16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	434.150954
ΔH_f, kcal/mol:	-120.94
Dipole, Da:	2.74
IP(EA), eV:	-9.09(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C=CC(=O)NNC(=O)COC2=CC=C(C=C2)F

DOS

IR

Vibrations