Geometry & MOs

Info

ID:	159210
PubChem CID:	57264389
Reduced:	ISN3O3C27H54 (1)
Stoich.:	ABC3D3E27F54 (1)
Weight, g/mol:	338.185509
ΔH_f, kcal/mol:	-118.17
Dipole, Da:	19.34
IP(EA), eV:	-6.39(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethoxy-2-phenylethyl)-4-[3-(methylamino)-1H-1,2,4-triazol-5-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOC(C(CC#N)CN(CCC[N+](C)(C)C)S(=O)[O-])I

DOS

IR

Vibrations