Geometry & MOs

Info

ID:	386707
PubChem CID:	134982618
Reduced:	O2H22C27 (1)
Stoich.:	A2B22C27 (1)
Weight, g/mol:	433.319209
ΔH_f, kcal/mol:	-1.3
Dipole, Da:	1.5
IP(EA), eV:	-8.39(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (3E,5Z)-4-(piperidin-1-ylmethyl)-5,6-dipropylcycloocta-3,5-diene-1,1-dicarboxylate

Drug info:

PubChemData

Smile

C[C@H]1CC(OC2=CC3=C(C=CC4=C3C5=C(C=CC6=C5C=C(O1)C=C6)C=C4)C=C2)C

DOS

IR

Vibrations