Geometry & MOs

Info

ID:	295514
PubChem CID:	117531774
Reduced:	N2O3C13H16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	296.01604
ΔH_f, kcal/mol:	-79.25
Dipole, Da:	3.42
IP(EA), eV:	-9.39(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCC#N)C(=O)OCC1=CC=CC=C1OC

DOS

IR

Vibrations