Geometry & MOs

Info

ID:	343511
PubChem CID:	127266684
Reduced:	ON3C6H8 (2)
Stoich.:	AB3C6D8 (2)
Weight, g/mol:	309.170194
ΔH_f, kcal/mol:	50.68
Dipole, Da:	6.42
IP(EA), eV:	-9.4(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-N-[3-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-pyridin-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)NCCCC2=NC=NN2C)[N+](=O)[O-]

DOS

IR

Vibrations