Geometry & MOs

Info

ID:	394748
PubChem CID:	135023676
Reduced:	O5C19H28 (1)
Stoich.:	A5B19C28 (1)
Weight, g/mol:	186.104465
ΔH_f, kcal/mol:	-236.74
Dipole, Da:	4.64
IP(EA), eV:	-9.63(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-1,2-dihydronaphthalen-1-yl)ethanone

Drug info:

PubChemData

Smile

CCC[C@H]([C@H](C)C(=O)O[C@@H](C(C)C)C(=O)OCC1=CC=CC=C1)O

DOS

IR

Vibrations