Geometry & MOs

Info

ID:	82821
PubChem CID:	49856608
Reduced:	N3O4C10H13 (1)
Stoich.:	A3B4C10D13 (1)
Weight, g/mol:	270.113506
ΔH_f, kcal/mol:	-81.19
Dipole, Da:	5.1
IP(EA), eV:	-9.84(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(COC(=O)N)N)[N+](=O)[O-]

DOS

IR

Vibrations