Geometry & MOs

Info

ID:	126220
PubChem CID:	50955750
Reduced:	ON3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	264.115716
ΔH_f, kcal/mol:	14.69
Dipole, Da:	2.99
IP(EA), eV:	-8.42(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-2-methyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCN(CC1=CN=CC=C1)C(=O)CC2=CN(C3=CC=CC=C32)C

DOS

IR

Vibrations