Geometry & MOs

Info

ID:	169734
PubChem CID:	75142412
Reduced:	ClO3N6C28H37 (1)
Stoich.:	AB3C6D28E37 (1)
Weight, g/mol:	532.202338
ΔH_f, kcal/mol:	-74.19
Dipole, Da:	8.59
IP(EA), eV:	-8.59(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]methyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC3CC(=O)NC(N3)N4CCN(CC4)C(=O)CC5=CC=CC=C5

DOS

IR

Vibrations