Geometry & MOs

Info

ID:	340335
PubChem CID:	127262346
Reduced:	O3H20C21 (1)
Stoich.:	A3B20C21 (1)
Weight, g/mol:	348.172545
ΔH_f, kcal/mol:	-60.98
Dipole, Da:	4.09
IP(EA), eV:	-8.62(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C/C(=C/C2=CC=C(C=C2)O)/C(=O)/C(=C\C3=CC=C(C=C3)O)/CC1

DOS

IR

Vibrations