Geometry & MOs

Info

ID:	327661
PubChem CID:	126690667
Reduced:	NOC8H13 (1)
Stoich.:	ABC8D13 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-32.72
Dipole, Da:	1.14
IP(EA), eV:	-7.97(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(4-cyanophenyl)methyl]-N-(2-oxoethyl)carbamate

Drug info:

PubChemData

Smile

CCC1=C(NCC=C1)CO

DOS

IR

Vibrations