Geometry & MOs

Info

ID:	321246
PubChem CID:	126665588
Reduced:	F4N5O5C31H35 (1)
Stoich.:	A4B5C5D31E35 (1)
Weight, g/mol:	404.089638
ΔH_f, kcal/mol:	-380.7
Dipole, Da:	6.93
IP(EA), eV:	-9.54(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyanophenyl)-N-[2-fluoro-6-(hydroxymethyl)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=C4CN(CCC4=C3)C(=O)OC(C)(C)C)F

DOS

IR

Vibrations