Geometry & MOs

Info

ID:	153024
PubChem CID:	56312139
Reduced:	N3O4C24H31 (1)
Stoich.:	A3B4C24D31 (1)
Weight, g/mol:	377.106168
ΔH_f, kcal/mol:	-134.7
Dipole, Da:	6.83
IP(EA), eV:	-8.53(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2,6-dichloropyridin-4-yl)methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)NCC3=CC=C(C=C3)OC

DOS

IR

Vibrations