Geometry & MOs

Info

ID:	321322
PubChem CID:	126665802
Reduced:	FO3N5C30H30 (1)
Stoich.:	AB3C5D30E30 (1)
Weight, g/mol:	534.167889
ΔH_f, kcal/mol:	-25.48
Dipole, Da:	2.08
IP(EA), eV:	-9.2(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyanophenyl)-N-[4-[cyclopropylmethoxy(phenyl)methyl]-2-fluorophenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=NN(C(=C1)C(=O)NC2=C(C=CC(=C2)C(C3=CC=CC=C3)NCC4CC4)F)C5=CC=CC(=C5)CN

DOS

IR

Vibrations