Geometry & MOs

Info

ID:	83127
PubChem CID:	49857182
Reduced:	ClNOC5H6 (2)
Stoich.:	ABCD5E6 (2)
Weight, g/mol:	318.113506
ΔH_f, kcal/mol:	-91.27
Dipole, Da:	4.7
IP(EA), eV:	-9.36(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-3-(4-chlorophenyl)propyl] N-benzylcarbamate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CC(COC(=O)N)N)Cl)Cl

DOS

IR

Vibrations