Geometry & MOs

Info

ID:	39479
PubChem CID:	8140944
Reduced:	BrN2O3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	370.06959
ΔH_f, kcal/mol:	-129.61
Dipole, Da:	2.88
IP(EA), eV:	-8.94(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N(C)CC1=C(C=CC(=C1)Br)OC)NC(=O)C

DOS

IR

Vibrations