Geometry & MOs

Info

ID:	170389
PubChem CID:	75226577
Reduced:	O5C30H34 (1)
Stoich.:	A5B30C34 (1)
Weight, g/mol:	534.261754
ΔH_f, kcal/mol:	-149.85
Dipole, Da:	6.39
IP(EA), eV:	-8.59(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-bis[[3-methoxy-4-(oxan-3-yloxy)phenyl]methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

C1CC(COC1)OC2=CC=C(C=C2)C=C3CCCC(=CC4=CC=C(C=C4)OC5CCCOC5)C3=O

DOS

IR

Vibrations