Geometry & MOs

Info

ID:	200046
PubChem CID:	79338036
Reduced:	ClN2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	-80.73
Dipole, Da:	1.91
IP(EA), eV:	-9.06(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(propylamino)ethyl N-(4-cyanophenyl)carbamate

Drug info:

PubChemData

Smile

C1CNCC1COC(=O)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations