Geometry & MOs

Info

ID:	295513
PubChem CID:	117531773
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	248.116092
ΔH_f, kcal/mol:	-54.64
Dipole, Da:	5.08
IP(EA), eV:	-9.48(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxyphenyl)methyl N-(2-cyanoethyl)-N-methylcarbamate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)COC(=O)N(C)CCC#N

DOS

IR

Vibrations