Geometry & MOs

Info

ID:	391160
PubChem CID:	135003256
Reduced:	CrO2C17H18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	384.172545
ΔH_f, kcal/mol:	-3.02
Dipole, Da:	0.92
IP(EA), eV:	-8.14(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z,5Z,7Z)-7-methoxy-2-methyl-3,5-diphenyl-10-oxatricyclo[6.5.0.09,13]trideca-1,5,7-trien-4-one

Drug info:

PubChemData

Smile

COC(=[Cr])C1=C(C2C1OCCC2)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations