Geometry & MOs

Info

ID:	208098
PubChem CID:	80496206
Reduced:	O2N5C10H11 (1)
Stoich.:	A2B5C10D11 (1)
Weight, g/mol:	190.096694
ΔH_f, kcal/mol:	6.04
Dipole, Da:	5.31
IP(EA), eV:	-8.1(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-(2H-triazol-4-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)N)NC(=O)C2=NNN=C2

DOS

IR

Vibrations