Geometry & MOs

Info

ID:	224656
PubChem CID:	85345763
Reduced:	NOC10H11 (2)
Stoich.:	ABC10D11 (2)
Weight, g/mol:	322.10842
ΔH_f, kcal/mol:	-35.82
Dipole, Da:	4.5
IP(EA), eV:	-8.87(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-(6-chloropyridin-3-yl)-4-oxocyclohex-2-en-1-yl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C=C1NC(CN1CC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations