Geometry & MOs

Info

ID:	2016
PubChem CID:	5594
Reduced:	ClOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	312.068385
ΔH_f, kcal/mol:	-102.15
Dipole, Da:	2.45
IP(EA), eV:	-9.91(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-methyl-3-bicyclo[3.2.1]octanyl) 3,5-dichlorobenzoate

Drug info:

PubChemData

Smile

CC1C2CCC1CC(C2)OC(=O)C3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations