Geometry & MOs

Info

ID:	17969
PubChem CID:	530487
Reduced:	O3C18H22 (1)
Stoich.:	A3B18C22 (1)
Weight, g/mol:	286.156895
ΔH_f, kcal/mol:	-127.46
Dipole, Da:	0.93
IP(EA), eV:	-9.09(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-adamantyl 3-methoxybenzoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)OC2C3CC4CC(C3)CC2C4

DOS

IR

Vibrations