Geometry & MOs

Info

ID:	67050
PubChem CID:	46505766
Reduced:	ON2H32C36 (1)
Stoich.:	AB2C32D36 (1)
Weight, g/mol:	506.303224
ΔH_f, kcal/mol:	75.72
Dipole, Da:	5.93
IP(EA), eV:	-8.22(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-2,6-bis[(4-butoxy-3-ethoxyphenyl)methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C3=C1C=CC(=C3)/C=C\4/C(=O)/C(=C/C5=CC6=C(N(C7=CC=CC=C67)CC)C=C5)/CCC4

DOS

IR

Vibrations