Geometry & MOs

Info

ID:	14091
PubChem CID:	403963
Reduced:	NOC4H4 (4)
Stoich.:	ABC4D4 (4)
Weight, g/mol:	328.117155
ΔH_f, kcal/mol:	-86.68
Dipole, Da:	5.03
IP(EA), eV:	-9.1(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 4-amino-[1,2,4]triazino[4,3-a]indole-3,10-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2N=NC(=C(N2C3=CC=CC=C31)N)C(=O)OCC

DOS

IR

Vibrations