Geometry & MOs

Info

ID:	295551
PubChem CID:	117533862
Reduced:	NC13H25 (1)
Stoich.:	AB13C25 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-45.38
Dipole, Da:	1.91
IP(EA), eV:	-9.31(3.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methoxyphenyl)bicyclo[2.2.2]octan-1-ol

Drug info:

PubChemData

Smile

CCCC12CCC(CC1)(CC2)CCN

DOS

IR

Vibrations