Geometry & MOs

Info

ID:	125610
PubChem CID:	50929974
Reduced:	ClN2O4H15C18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	604.379495
ΔH_f, kcal/mol:	-58.8
Dipole, Da:	4.46
IP(EA), eV:	-8.36(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

chromium;(Z)-6-hydroxy-2,7,7-trimethyloct-5-en-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C(=O)N/N=C/C2=CC=C(O2)C3=CC(=C(C=C3)OC)Cl

DOS

IR

Vibrations