Geometry & MOs

Info

ID:	152453
PubChem CID:	56311383
Reduced:	N5O5C22H29 (1)
Stoich.:	A5B5C22D29 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-193.04
Dipole, Da:	3.92
IP(EA), eV:	-8.88(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)C3=C(N(C(=O)NC3=O)CCOC)N

DOS

IR

Vibrations