Geometry & MOs

Info

ID:	298724
PubChem CID:	117654604
Reduced:	O2C8H9 (4)
Stoich.:	A2B8C9 (4)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-245.55
Dipole, Da:	2.47
IP(EA), eV:	-9.14(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S)-1-methyl-3-oxocyclohexyl]butanal

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)COC2=CC=C(C=C2)C3(COC3)OCC(=O)OC)C4=C(C=C(C=C4)OCC5(COC5)CO)C

DOS

IR

Vibrations