Geometry & MOs

Info

ID:	385495
PubChem CID:	134979240
Reduced:	C7H11 (2)
Stoich.:	A7B11 (2)
Weight, g/mol:	252.245316
ΔH_f, kcal/mol:	13.65
Dipole, Da:	0.63
IP(EA), eV:	-9.47(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-3-pentyloct-3-en-2-one

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](C[C@@H]2C[C@H]1C2(C)C)C(=C)C=C

DOS

IR

Vibrations