Geometry & MOs

Info

ID:	139932
PubChem CID:	52619219
Reduced:	N2O4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	392.03717
ΔH_f, kcal/mol:	-64.53
Dipole, Da:	3.47
IP(EA), eV:	-9.47(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-bromophenyl)ethyl]-2-(2-methyl-3-nitrophenoxy)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@H](C)NC(=O)COC2=CC=CC(=C2C)[N+](=O)[O-]

DOS

IR

Vibrations