Geometry & MOs

Info

ID:	399561
PubChem CID:	135040931
Reduced:	OC3H5 (4)
Stoich.:	AB3C5 (4)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-167.52
Dipole, Da:	2.17
IP(EA), eV:	-10.24(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2,6,6-trimethylcyclohexen-1-yl)-1,2-dihydropyridine-4-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]([C@H](C=C)OCOC)/C(=C/C(=O)OC)/C

DOS

IR

Vibrations