Geometry & MOs

Info

ID:	280143
PubChem CID:	103847174
Reduced:	OC5H10 (2)
Stoich.:	AB5C10 (2)
Weight, g/mol:	164.120115
ΔH_f, kcal/mol:	-112.5
Dipole, Da:	3.62
IP(EA), eV:	-9.34(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(cyclohepten-1-yl)but-2-en-1-one

Drug info:

PubChemData

Smile

CCCC(C)C(=O)C(CC)OC

DOS

IR

Vibrations