Geometry & MOs

Info

ID:	41696
PubChem CID:	8146841
Reduced:	ON4C17H18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	364.129731
ΔH_f, kcal/mol:	56.43
Dipole, Da:	1.55
IP(EA), eV:	-9.07(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3-benzodioxol-5-ylmethyl-methyl-[(4-oxo-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)CN2C(=O)C3=CC=CC=C3N=N2

DOS

IR

Vibrations