Geometry & MOs

Info

ID:	251675
PubChem CID:	103105888
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	278.123972
ΔH_f, kcal/mol:	-25.51
Dipole, Da:	5.1
IP(EA), eV:	-9.42(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(N=NN1CC2=CC3=C(CCC3)C=C2)C(=O)OC

DOS

IR

Vibrations