Geometry & MOs

Info

ID:	182228
PubChem CID:	76861688
Reduced:	NO2F5C16H18 (1)
Stoich.:	AB2C5D16E18 (1)
Weight, g/mol:	417.156767
ΔH_f, kcal/mol:	-326.21
Dipole, Da:	3.38
IP(EA), eV:	-9.84(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-3-[3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoylamino]benzamide

Drug info:

PubChemData

Smile

CCCCN(CC(F)(F)F)C(=O)C=CC1=CC=CC=C1OC(F)F

DOS

IR

Vibrations