Geometry & MOs

Info

ID:	295516
PubChem CID:	117531791
Reduced:	N2O3C14H18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-89.25
Dipole, Da:	5.63
IP(EA), eV:	-8.85(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethylphenyl)methyl N-(2-cyanoethyl)-N-methylcarbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)COC(=O)N(C)CCC#N)OC

DOS

IR

Vibrations