Geometry & MOs

Info

ID:	295508
PubChem CID:	117531636
Reduced:	NO2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	182.105528
ΔH_f, kcal/mol:	-110.65
Dipole, Da:	2.23
IP(EA), eV:	-8.36(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopentylmethyl N-(cyanomethyl)carbamate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)COC(=O)NCC#N

DOS

IR

Vibrations