Geometry & MOs

Info

ID:	399035
PubChem CID:	135037174
Reduced:	O2C16H21 (1)
Stoich.:	A2B16C21 (1)
Weight, g/mol:	208.109944
ΔH_f, kcal/mol:	-52.82
Dipole, Da:	2.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.099652
Charge, e:	0

Chem-info

IUPAC name:

(5R,6R)-10-hydroxy-6-methyl-4-oxospiro[4.5]dec-7-ene-10-carbaldehyde

Drug info:

PubChemData

Smile

CC1CCC=C(C1(C)C[O+]=CC2=CC=CC=C2)O

DOS

IR

Vibrations