Geometry & MOs

Info

ID:	157595
PubChem CID:	56435949
Reduced:	O2N4C27H38 (1)
Stoich.:	A2B4C27D38 (1)
Weight, g/mol:	416.10994
ΔH_f, kcal/mol:	-64.41
Dipole, Da:	3.9
IP(EA), eV:	-8.67(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-(3-bromophenyl)ethylamino]-2-oxo-1-phenylethyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CC2=CC=CC=C2CNC(=O)C(C3=CC=CC=C3)NC(=O)CC(C)C

DOS

IR

Vibrations