Geometry & MOs

Info

ID:	385975
PubChem CID:	134980449
Reduced:	O2C17H26 (1)
Stoich.:	A2B17C26 (1)
Weight, g/mol:	214.172151
ΔH_f, kcal/mol:	-103.95
Dipole, Da:	0.7
IP(EA), eV:	-9.35(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4S)-2-(3-phenylpropyl)bicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

CCCC1(CCC[C@@H](C1)COCC2=CC=CC=C2)O

DOS

IR

Vibrations