Geometry & MOs

Info

ID:	368105
PubChem CID:	127327481
Reduced:	ON7C14H17 (1)
Stoich.:	AB7C14D17 (1)
Weight, g/mol:	313.165108
ΔH_f, kcal/mol:	83.74
Dipole, Da:	8.68
IP(EA), eV:	-8.82(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(methoxymethyl)-7-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C3=NC(=O)C4=CNN(C4=N3)C

DOS

IR

Vibrations