Geometry & MOs

Info

ID:	433119
PubChem CID:	135173256
Reduced:	ClFSN3H7C8 (1)
Stoich.:	ABCD3E7F8 (1)
Weight, g/mol:	395.206973
ΔH_f, kcal/mol:	18.4
Dipole, Da:	2.68
IP(EA), eV:	-9.43(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-7-[4-(1-methylindazol-5-yl)oxypiperidin-1-yl]-3H-[1,2,4]triazolo[4,3-a]pyrimidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=NN2SF)C)N=C1Cl

DOS

IR

Vibrations