Geometry & MOs

Info

ID:	382519
PubChem CID:	134973731
Reduced:	CrO2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	392.035193
ΔH_f, kcal/mol:	26.04
Dipole, Da:	3.19
IP(EA), eV:	-7.53(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;[(2,6-dimethylphenyl)-pent-3-ynoxymethylidene]chromium

Drug info:

PubChemData

Smile

CC#CCCCCOC(=[Cr])C1=C(C=C(C=C1C)O)C

DOS

IR

Vibrations