Geometry & MOs

Info

ID:	399076
PubChem CID:	135037530
Reduced:	NOC10H19 (1)
Stoich.:	ABC10D19 (1)
Weight, g/mol:	196.109944
ΔH_f, kcal/mol:	-67.85
Dipole, Da:	3.04
IP(EA), eV:	-8.7(2.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 2-oxocycloheptane-1-carboxylate

Drug info:

PubChemData

Smile

C1CCC([C@@H](C1)N2CCCC2)O

DOS

IR

Vibrations