Geometry & MOs

Info

ID:	35303
PubChem CID:	7979656
Reduced:	ClNO3C19H22 (1)
Stoich.:	ABC3D19E22 (1)
Weight, g/mol:	411.98255
ΔH_f, kcal/mol:	-123.36
Dipole, Da:	3.02
IP(EA), eV:	-8.7(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-chloro-2-nitrophenoxy)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC2=C(C=C(C(=C2)C)Cl)C(C)C)O

DOS

IR

Vibrations