Geometry & MOs

Info

ID:	39480
PubChem CID:	8140952
Reduced:	ClN2O2F3H14C17 (1)
Stoich.:	AB2C2D3E14F17 (1)
Weight, g/mol:	344.129156
ΔH_f, kcal/mol:	-207.27
Dipole, Da:	3.85
IP(EA), eV:	-8.95(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-4-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations