Geometry & MOs

Info

ID:	321249
PubChem CID:	126665597
Reduced:	OSN2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	510.131503
ΔH_f, kcal/mol:	9.26
Dipole, Da:	5.01
IP(EA), eV:	-8.32(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)/N=C(/CCC1CC1)\C2=CC=NC=C2

DOS

IR

Vibrations