Geometry & MOs

Info

ID:	159983
PubChem CID:	57304292
Reduced:	O6C25H26 (1)
Stoich.:	A6B25C26 (1)
Weight, g/mol:	308.144616
ΔH_f, kcal/mol:	-172.94
Dipole, Da:	3.64
IP(EA), eV:	-9.01(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bicyclo[2.2.1]heptanyl 4-tert-butylbenzenesulfonate

Drug info:

PubChemData

Smile

CCC(CC)(C#CC=C(C)C1=C(C(=C(C=C1)C(=O)O)C(=O)O)COC2=CC=CC=C2)O

DOS

IR

Vibrations