Geometry & MOs

Info

ID:	215878
PubChem CID:	85085378
Reduced:	O4C9H10 (1)
Stoich.:	A4B9C10 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-123.39
Dipole, Da:	6.13
IP(EA), eV:	-9.86(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(methoxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]acetaldehyde

Drug info:

PubChemData

Smile

COCC(=CC1=COC=C1)C(=O)O

DOS

IR

Vibrations