Geometry & MOs

Info

ID:	399940
PubChem CID:	135044037
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-134.25
Dipole, Da:	1.3
IP(EA), eV:	-9.37(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,5-dimethyl-3,4-dihydro-1H-naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2CC2(C(=O)OC)C(=O)OC

DOS

IR

Vibrations