Geometry & MOs

Info

ID:	394820
PubChem CID:	135023863
Reduced:	NOCl2H23C24 (1)
Stoich.:	ABC2D23E24 (1)
Weight, g/mol:	502.00784
ΔH_f, kcal/mol:	5.8
Dipole, Da:	3.62
IP(EA), eV:	-9.18(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R)-2-amino-1,2-bis(3-bromo-4-methylphenyl)ethyl]benzamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)CC2=CC=CC=C2)C(C3=CC=C(C=C3)Cl)(C4=CC=C(C=C4)Cl)O

DOS

IR

Vibrations