Geometry & MOs

Info

ID:	153143
PubChem CID:	56312289
Reduced:	O4N5C26H31 (1)
Stoich.:	A4B5C26D31 (1)
Weight, g/mol:	382.225643
ΔH_f, kcal/mol:	-107.59
Dipole, Da:	4.37
IP(EA), eV:	-9.12(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-(4-methoxyphenoxy)propyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CCC1(C(=O)N(C(=O)N1)NC(=O)CN2CCN(CC2)C(=O)CC3=CC=CC=C3C)C4=CC=CC=C4

DOS

IR

Vibrations