Geometry & MOs

Info

ID:	251580
PubChem CID:	103105043
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	278.123972
ΔH_f, kcal/mol:	-55.17
Dipole, Da:	3.33
IP(EA), eV:	-9.1(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2CC3=CC=CC=C3O2)C

DOS

IR

Vibrations