Geometry & MOs

Info

ID:	192324
PubChem CID:	78256895
Reduced:	FN2O3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	363.20323
ΔH_f, kcal/mol:	-92.85
Dipole, Da:	2.89
IP(EA), eV:	-9.3(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-(methoxymethyl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1=CC2=NC(=O)C(C=C2C=C1)CN(CCOC)C(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations