Geometry & MOs

Info

ID:	327375
PubChem CID:	126689716
Reduced:	F2N2O2H14C15 (2)
Stoich.:	A2B2C2D14E15 (2)
Weight, g/mol:	520.172225
ΔH_f, kcal/mol:	-281.27
Dipole, Da:	6.81
IP(EA), eV:	-9.43(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=C(C=C(C=C3)C(C4=CC=CC=C4)O)F

DOS

IR

Vibrations