Geometry & MOs

Info

ID:	203399
PubChem CID:	79826485
Reduced:	ON3C9H13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	303.088688
ΔH_f, kcal/mol:	-6.34
Dipole, Da:	3.07
IP(EA), eV:	-8.71(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-5-methoxyaniline

Drug info:

PubChemData

Smile

C1CC(C1)OC2=NC(=C(C=C2)N)N

DOS

IR

Vibrations