Geometry & MOs

Info

ID:	411349
PubChem CID:	135084172
Reduced:	FC16H17 (1)
Stoich.:	AB16C17 (1)
Weight, g/mol:	202.135765
ΔH_f, kcal/mol:	32.08
Dipole, Da:	2.36
IP(EA), eV:	-9.56(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylidene-1-phenylheptan-1-one

Drug info:

PubChemData

Smile

CCCC(CC#CC)(C#C)C1=CC=C(C=C1)F

DOS

IR

Vibrations