Geometry & MOs

Info

ID:	82822
PubChem CID:	49856609
Reduced:	ClN2O2C13H19 (1)
Stoich.:	AB2C2D13E19 (1)
Weight, g/mol:	212.096106
ΔH_f, kcal/mol:	-96.94
Dipole, Da:	1.94
IP(EA), eV:	-9.34(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-3-(4-fluorophenyl)propyl] carbamate

Drug info:

PubChemData

Smile

CCCNC(=O)OCC(CC1=CC=C(C=C1)Cl)N

DOS

IR

Vibrations