Geometry & MOs

Info

ID:	340336
PubChem CID:	127262347
Reduced:	O3C23H24 (1)
Stoich.:	A3B23C24 (1)
Weight, g/mol:	216.11503
ΔH_f, kcal/mol:	-54.56
Dipole, Da:	5.73
IP(EA), eV:	-8.43(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/2\C(=O)/C(=C\C3=CC=C(C=C3)OC)/CCCC2

DOS

IR

Vibrations