Geometry & MOs

Info

ID:	154676
PubChem CID:	56314168
Reduced:	FN2O2C22H25 (1)
Stoich.:	AB2C2D22E25 (1)
Weight, g/mol:	382.144119
ΔH_f, kcal/mol:	-91.98
Dipole, Da:	5.34
IP(EA), eV:	-9.05(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1CC1C(=O)NC2=CC=C(C=C2)C(=O)NCC(C)(C)C3=CC=CC=C3F

DOS

IR

Vibrations