Geometry & MOs

Info

ID:	25107
PubChem CID:	618980
Reduced:	ClN3O3C19H20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	247.106925
ΔH_f, kcal/mol:	-18.66
Dipole, Da:	10.72
IP(EA), eV:	-8.82(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dimethoxyphenyl)-1,2,4-triazine-3,5-diamine

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations