Geometry & MOs

Info

ID:	399286
PubChem CID:	135039402
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	186.089209
ΔH_f, kcal/mol:	-118.76
Dipole, Da:	4.15
IP(EA), eV:	-9.62(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methoxy-2-oxocyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@H]1OC[C@@H](C(=O)O1)C2=CC=CC=C2

DOS

IR

Vibrations