Geometry & MOs

Info

ID:	146746
PubChem CID:	53743054
Reduced:	O2N8C33H34 (1)
Stoich.:	A2B8C33D34 (1)
Weight, g/mol:	228.11503
ΔH_f, kcal/mol:	70.66
Dipole, Da:	5.39
IP(EA), eV:	-8.93(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(4-hydroxyphenyl)propan-2-ylidene]cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)N(C(=O)N2CCC6=CC=CC=C6)CC

DOS

IR

Vibrations