Geometry & MOs

Info

ID:	126316
PubChem CID:	50959172
Reduced:	OSN4C17H22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	262.154209
ΔH_f, kcal/mol:	21.91
Dipole, Da:	4.51
IP(EA), eV:	-8.44(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(CCC2)C(=O)CN(C)CC3=C(N=NS3)C

DOS

IR

Vibrations