Geometry & MOs

Info

ID:	150448
PubChem CID:	53790138
Reduced:	NO5C20H21 (1)
Stoich.:	AB5C20D21 (1)
Weight, g/mol:	343.116821
ΔH_f, kcal/mol:	-162.95
Dipole, Da:	3.89
IP(EA), eV:	-8.76(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[2-amino-3-(4-nitrophenyl)propanoyl]carbamate

Drug info:

PubChemData

Smile

CCC(=O)C1C(=O)CC(CC1=O)C2=CC3=C(C=C2)OCC(=O)N3CC=C

DOS

IR

Vibrations