Geometry & MOs

Info

ID:	153127
PubChem CID:	56312269
Reduced:	N2O4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	464.278741
ΔH_f, kcal/mol:	-132.78
Dipole, Da:	4.92
IP(EA), eV:	-9.04(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCOC3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations