Geometry & MOs

Info

ID:	426869
PubChem CID:	135154279
Reduced:	ON7C19H19 (1)
Stoich.:	AB7C19D19 (1)
Weight, g/mol:	341.160023
ΔH_f, kcal/mol:	95.7
Dipole, Da:	5.47
IP(EA), eV:	-8.34(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]triazol-4-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC2=CC(=C(C=C2)OC)N3C4=C(C=NC=C4)C=N3)NC

DOS

IR

Vibrations