Geometry & MOs

Info

ID:	192522
PubChem CID:	78279775
Reduced:	O3N5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	359.208316
ΔH_f, kcal/mol:	-35.95
Dipole, Da:	9.16
IP(EA), eV:	-9.6(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-(4-piperidin-2-ylidenepiperazin-4-ium-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C=NN=N3)C

DOS

IR

Vibrations