Geometry & MOs

Info

ID:	152826
PubChem CID:	56311902
Reduced:	O3N4C24H30 (1)
Stoich.:	A3B4C24D30 (1)
Weight, g/mol:	466.22162
ΔH_f, kcal/mol:	-95.68
Dipole, Da:	1.5
IP(EA), eV:	-9.14(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations