Geometry & MOs

Info

ID:	407474
PubChem CID:	135080212
Reduced:	O2C15H22 (1)
Stoich.:	A2B15C22 (1)
Weight, g/mol:	216.11503
ΔH_f, kcal/mol:	-76.6
Dipole, Da:	6.46
IP(EA), eV:	-9.42(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-2-methyl-1-oxo-3,4-dihydronaphthalen-2-yl]propanal

Drug info:

PubChemData

Smile

CCC(C)(C)C1=CC(=O)C(=O)C(=C1)C(C)(C)C

DOS

IR

Vibrations