Geometry & MOs

Info

ID:	386466
PubChem CID:	134981835
Reduced:	OC12H16 (1)
Stoich.:	AB12C16 (1)
Weight, g/mol:	326.151809
ΔH_f, kcal/mol:	-36.13
Dipole, Da:	1.78
IP(EA), eV:	-9.17(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-tert-butylheptalene-2,3-dicarboxylate

Drug info:

PubChemData

Smile

CCOC1CC(C2=CC=CC=C12)C

DOS

IR

Vibrations