Geometry & MOs

Info

ID:	435070
PubChem CID:	135179526
Reduced:	NC23H49 (1)
Stoich.:	AB23C49 (1)
Weight, g/mol:	204.131429
ΔH_f, kcal/mol:	-105.17
Dipole, Da:	1.33
IP(EA), eV:	-8.67(3.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(2-fluorophenyl)-1-methylbicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

CCCCCC(C)NCC(C)C(CCC)CCCC(C)(CC)CC

DOS

IR

Vibrations