Geometry & MOs

Info

ID:	73149
PubChem CID:	48417091
Reduced:	ON6H10C14 (1)
Stoich.:	AB6C10D14 (1)
Weight, g/mol:	310.129057
ΔH_f, kcal/mol:	113.92
Dipole, Da:	4.06
IP(EA), eV:	-9.41(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CN(N=C1)C2=CC=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations