Geometry & MOs

Info

ID:	429688
PubChem CID:	135169739
Reduced:	ON5H31C50 (1)
Stoich.:	AB5C31D50 (1)
Weight, g/mol:	239.057388
ΔH_f, kcal/mol:	246.53
Dipole, Da:	3.72
IP(EA), eV:	-8.25(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-methoxy-6-(3-methyl-1,2,4-triazol-1-yl)pyridin-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)C5=CC(=CC=C5)N6C7=C(C8=C6C9=C(C=C8)N=C(O9)C1=CC=CC=C1)C1=CC=CC=C1C=C7

DOS

IR

Vibrations