Geometry & MOs

Info

ID:	194667
PubChem CID:	78571441
Reduced:	N2O2H8C11 (2)
Stoich.:	A2B2C8D11 (2)
Weight, g/mol:	351.149087
ΔH_f, kcal/mol:	63.6
Dipole, Da:	6.21
IP(EA), eV:	-9.37(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC=C(O4)[N+](=O)[O-]

DOS

IR

Vibrations