Geometry & MOs

Info

ID:	79803
PubChem CID:	49830515
Reduced:	ClN6H13C14 (1)
Stoich.:	AB6C13D14 (1)
Weight, g/mol:	347.113073
ΔH_f, kcal/mol:	108.67
Dipole, Da:	3.0
IP(EA), eV:	-8.36(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(1H-indazol-6-ylamino)-1,3,5-triazin-2-yl]amino]benzoic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)Cl

DOS

IR

Vibrations