Geometry & MOs

Info

ID:	295515
PubChem CID:	117531786
Reduced:	BrN2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	262.131742
ΔH_f, kcal/mol:	-39.02
Dipole, Da:	1.98
IP(EA), eV:	-9.76(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxy-3-methylphenyl)methyl N-(2-cyanoethyl)-N-methylcarbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations