Geometry & MOs

Info

ID:	76262
PubChem CID:	48424695
Reduced:	BrN2O2C18H27 (1)
Stoich.:	AB2C2D18E27 (1)
Weight, g/mol:	394.150427
ΔH_f, kcal/mol:	-53.62
Dipole, Da:	3.38
IP(EA), eV:	-8.56(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-3-phenyl-1-[1-[2-(trifluoromethyl)phenyl]ethylamino]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)N(CCN(C)C)CC1=CC=C(C=C1)Br)OCC2CC2

DOS

IR

Vibrations