Geometry & MOs

Info

ID:	183874
PubChem CID:	77084506
Reduced:	ON5C16H17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	363.180758
ΔH_f, kcal/mol:	52.12
Dipole, Da:	7.68
IP(EA), eV:	-8.72(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,5-dimethylindazol-3-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1C3CCCN3C(=O)C4=CNN=C4

DOS

IR

Vibrations