Geometry & MOs

Info

ID:	385869
PubChem CID:	134980176
Reduced:	NC17H29 (1)
Stoich.:	AB17C29 (1)
Weight, g/mol:	242.167065
ΔH_f, kcal/mol:	-23.4
Dipole, Da:	1.5
IP(EA), eV:	-8.94(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-phenylbutan-1-one

Drug info:

PubChemData

Smile

CCCCCCC(C)CNCCC1=CC=CC=C1

DOS

IR

Vibrations