Geometry & MOs

Info

ID:	18016
PubChem CID:	533765
Reduced:	OC14H16 (1)
Stoich.:	AB14C16 (1)
Weight, g/mol:	200.120115
ΔH_f, kcal/mol:	37.21
Dipole, Da:	3.11
IP(EA), eV:	-9.51(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-phenyl-1-bicyclo[1.1.1]pentanyl)propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)C12CC(C1)(C2)C3=CC=CC=C3

DOS

IR

Vibrations