Geometry & MOs

Info

ID:	295510
PubChem CID:	117531664
Reduced:	NO2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	262.131742
ΔH_f, kcal/mol:	-115.03
Dipole, Da:	1.35
IP(EA), eV:	-9.04(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-ethyl-2-methoxyphenyl)methyl N-(2-cyanoethyl)carbamate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)COC(=O)NCC#N)OC

DOS

IR

Vibrations