Geometry & MOs

Info

ID:	406264
PubChem CID:	135077073
Reduced:	NOC19H24 (1)
Stoich.:	ABC19D24 (1)
Weight, g/mol:	282.074556
ΔH_f, kcal/mol:	4.59
Dipole, Da:	2.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.052705
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-1,4-diethoxy-3-ethylsulfanyl-4-methylpent-2-enylidene]chromium

Drug info:

PubChemData

Smile

CC(C)OC(C#[N+]C(C)(C)C)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations