Geometry & MOs

Info

ID:	139431
PubChem CID:	52530495
Reduced:	F2O2N3H19C20 (1)
Stoich.:	A2B2C3D19E20 (1)
Weight, g/mol:	371.144533
ΔH_f, kcal/mol:	-89.06
Dipole, Da:	3.36
IP(EA), eV:	-8.86(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-acetyl-N-[(3,4-difluorophenyl)methyl]-N-methyl-2-phenyl-3,4-dihydropyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(=O)[C@@H]1CC(=NN1C2=CC=CC=C2)C(=O)N(C)CC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations