Geometry & MOs

Info

ID:	152024
PubChem CID:	56310870
Reduced:	NOC6H7 (4)
Stoich.:	ABC6D7 (4)
Weight, g/mol:	466.22162
ΔH_f, kcal/mol:	-101.99
Dipole, Da:	4.94
IP(EA), eV:	-8.7(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC

DOS

IR

Vibrations