Geometry & MOs

Info

ID:	382517
PubChem CID:	134973727
Reduced:	O5C25H28 (1)
Stoich.:	A5B25C28 (1)
Weight, g/mol:	436.061408
ΔH_f, kcal/mol:	-144.73
Dipole, Da:	5.88
IP(EA), eV:	-9.48(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;[hept-5-ynoxy-(4-hydroxy-2,6-dimethylphenyl)methylidene]chromium

Drug info:

PubChemData

Smile

CC1=CC(=O)C=C(C12C(=O)[C@H](C3=C2OCCOC3)C(C)COCC4=CC=CC=C4)C

DOS

IR

Vibrations