Geometry & MOs

Info

ID:	140866
PubChem CID:	52773925
Reduced:	F2N2O3C22H26 (1)
Stoich.:	A2B2C3D22E26 (1)
Weight, g/mol:	389.133969
ΔH_f, kcal/mol:	-203.02
Dipole, Da:	4.01
IP(EA), eV:	-8.49(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-difluorophenyl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)C2=C(C=CC=C2F)F

DOS

IR

Vibrations