Geometry & MOs

Info

ID:	90022
PubChem CID:	49965844
Reduced:	ClOSN4H23C25 (1)
Stoich.:	ABCD4E23F25 (1)
Weight, g/mol:	433.225308
ΔH_f, kcal/mol:	32.87
Dipole, Da:	4.2
IP(EA), eV:	-8.34(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-1-acetyl-3,5-bis[(4-propan-2-yloxyphenyl)methylidene]piperidin-4-one

Drug info:

PubChemData

Smile

C1CN(CC2=CC3=C(N=C21)SC(=C3N)C(=O)NCC4=CC=C(C=C4)Cl)CC5=CC=CC=C5

DOS

IR

Vibrations