Geometry & MOs

Info

ID:	152126
PubChem CID:	56310990
Reduced:	N3O4C24H29 (1)
Stoich.:	A3B4C24D29 (1)
Weight, g/mol:	401.210327
ΔH_f, kcal/mol:	-132.28
Dipole, Da:	7.63
IP(EA), eV:	-8.89(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-1-[4-[(2-pyridin-3-yloxyphenyl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)NC3=CC=CC(=C3)C(=O)C

DOS

IR

Vibrations