Geometry & MOs

Info

ID:	321377
PubChem CID:	126665919
Reduced:	O2F3N4H27C29 (1)
Stoich.:	A2B3C4D27E29 (1)
Weight, g/mol:	510.131503
ΔH_f, kcal/mol:	-112.5
Dipole, Da:	3.11
IP(EA), eV:	-8.76(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1COC2=CC=CC=C2CC3=CC(=CC=C3)NC(=O)C4=CC(=NN4C5=CC=CC(=C5)CN)C(F)(F)F

DOS

IR

Vibrations