Geometry & MOs

Info

ID:	426984
PubChem CID:	135154869
Reduced:	O3N8C20H24 (1)
Stoich.:	A3B8C20D24 (1)
Weight, g/mol:	355.139287
ΔH_f, kcal/mol:	11.26
Dipole, Da:	4.5
IP(EA), eV:	-8.78(-0.96)
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]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)C(=O)NCC4=NC=NN4

DOS

IR

Vibrations