Geometry & MOs

Info

ID:	406544
PubChem CID:	135078017
Reduced:	CrO4H16C17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	200.120115
ΔH_f, kcal/mol:	47.03
Dipole, Da:	4.35
IP(EA), eV:	-7.61(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dihydronaphthalen-1-yl)butan-2-one

Drug info:

PubChemData

Smile

CC(=O)CCC1=CCCC2=CC=CC=C21.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

DOS

IR

Vibrations