Geometry & MOs

Info

ID:	395116
PubChem CID:	135024684
Reduced:	O4C17H24 (1)
Stoich.:	A4B17C24 (1)
Weight, g/mol:	290.151809
ΔH_f, kcal/mol:	-167.91
Dipole, Da:	3.24
IP(EA), eV:	-8.09(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2,5-dimethoxy-4-methylphenyl)-2,2-dimethyl-4-oxocyclopentane-1-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)C(=O)CC(C)(C)CC(=O)C)OC

DOS

IR

Vibrations