Geometry & MOs

Info

ID:	24595
PubChem CID:	611248
Reduced:	O3C18H20 (1)
Stoich.:	A3B18C20 (1)
Weight, g/mol:	284.141245
ΔH_f, kcal/mol:	-116.07
Dipole, Da:	8.57
IP(EA), eV:	-9.1(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-methyl-6-propan-2-ylnaphthalen-1-yl)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1C=CC=C2C(=O)CCC(=O)O)C(C)C

DOS

IR

Vibrations