Geometry & MOs

Info

ID:	386524
PubChem CID:	134982031
Reduced:	OC17H24 (1)
Stoich.:	AB17C24 (1)
Weight, g/mol:	368.071095
ΔH_f, kcal/mol:	-32.15
Dipole, Da:	1.92
IP(EA), eV:	-8.51(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;(3R,4E,6E)-3-ethyl-1-phenylocta-4,6-dien-1-one;iron

Drug info:

PubChemData

Smile

C[C@@H](/C=C/C=C(C)C)[C@@H](C)[C@H](C1=CC=CC=C1)O

DOS

IR

Vibrations