Geometry & MOs

Info

ID:	9550
PubChem CID:	90846
Reduced:	O2C13H22 (1)
Stoich.:	A2B13C22 (1)
Weight, g/mol:	210.16198
ΔH_f, kcal/mol:	-117.06
Dipole, Da:	1.92
IP(EA), eV:	-10.54(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)propanoate

Drug info:

PubChemData

Smile

CC1(C2CCC(C2)C1CCC(=O)OC)C

DOS

IR

Vibrations