Geometry & MOs

Info

ID:	321429
PubChem CID:	126666028
Reduced:	O3N4H16C19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	448.11471
ΔH_f, kcal/mol:	30.59
Dipole, Da:	2.37
IP(EA), eV:	-9.17(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyanophenyl)-N-(3-phenoxyphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=O)N(N=C2C3=CC=CC=C3OC)CC4=CC=NC=C4

DOS

IR

Vibrations