Geometry & MOs

Info

ID:	340334
PubChem CID:	127262345
Reduced:	O3C12H20 (1)
Stoich.:	A3B12C20 (1)
Weight, g/mol:	320.141245
ΔH_f, kcal/mol:	-154.07
Dipole, Da:	4.23
IP(EA), eV:	-9.94(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,7Z)-2,7-bis[(4-hydroxyphenyl)methylidene]cycloheptan-1-one

Drug info:

PubChemData

Smile

CC(C)(C=O)OC(=O)C1CCCCCC1

DOS

IR

Vibrations