Geometry & MOs

Info

ID:	37907
PubChem CID:	8025458
Reduced:	N2O5C17H22 (1)
Stoich.:	A2B5C17D22 (1)
Weight, g/mol:	317.04153
ΔH_f, kcal/mol:	-126.98
Dipole, Da:	7.42
IP(EA), eV:	-10.2(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-bromophenyl)ethyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1(CC(=N[C@@H](CO)[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O)CC(=O)C1)C

DOS

IR

Vibrations