Geometry & MOs

Info

ID:	19353
PubChem CID:	562334
Reduced:	O2C25H40 (1)
Stoich.:	A2B25C40 (1)
Weight, g/mol:	372.302831
ΔH_f, kcal/mol:	-123.23
Dipole, Da:	1.17
IP(EA), eV:	-8.73(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-(2-hexyl-5,6-dihydro-2H-naphthalen-4a-yl)octanoate

Drug info:

PubChemData

Smile

CCCCCCC1C=CC2(CCC=CC2=C1)CCCCCCCC(=O)OC

DOS

IR

Vibrations