Geometry & MOs

Info

ID:	295512
PubChem CID:	117531765
Reduced:	O2N3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-31.19
Dipole, Da:	2.26
IP(EA), eV:	-10.07(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethylphenyl)methyl N-(2-cyanoethyl)-N-methylcarbamate

Drug info:

PubChemData

Smile

CN(CCC#N)C(=O)OCC1=CN=CC=C1

DOS

IR

Vibrations