Geometry & MOs

Info

ID:	69293
PubChem CID:	46530597
Reduced:	FO3N5C24H26 (1)
Stoich.:	AB3C5D24E26 (1)
Weight, g/mol:	438.205576
ΔH_f, kcal/mol:	-106.29
Dipole, Da:	5.28
IP(EA), eV:	-8.31(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C(=O)NC3=CC=C(C=C3)NC(=O)NCC4CCCO4

DOS

IR

Vibrations