Geometry & MOs

Info

ID:	366620
PubChem CID:	127320149
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	305.173942
ΔH_f, kcal/mol:	-93.38
Dipole, Da:	3.94
IP(EA), eV:	-8.19(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpiperazin-1-yl)propyl]-1,3-benzodioxole-4-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=C2C(=CC=C1)OCO2)CN3CCN(CC3)C

DOS

IR

Vibrations