Geometry & MOs

Info

ID:	30381
PubChem CID:	841231
Reduced:	O2N3C19H21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	315.099475
ΔH_f, kcal/mol:	-22.19
Dipole, Da:	3.43
IP(EA), eV:	-9.4(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoro-2-methylphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

Drug info:

PubChemData

Smile

CCC1=NN([C@](C1)(C2=CN=CC=C2)O)C(=O)CCC3=CC=CC=C3

DOS

IR

Vibrations