Geometry & MOs

Info

ID:	410881
PubChem CID:	135083682
Reduced:	O2C13H24 (1)
Stoich.:	A2B13C24 (1)
Weight, g/mol:	224.120115
ΔH_f, kcal/mol:	-120.34
Dipole, Da:	4.95
IP(EA), eV:	-10.11(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-phenylethynyl)cyclopropyl]pent-4-en-1-one

Drug info:

PubChemData

Smile

CCCCCCC/C=C/C(=O)C(C)(C)O

DOS

IR

Vibrations