Geometry & MOs

Info

ID:	359779
PubChem CID:	127299823
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	323.185844
ΔH_f, kcal/mol:	-108.59
Dipole, Da:	6.26
IP(EA), eV:	-9.21(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-methylpiperidin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN(C)C(=O)CN1CCC(CC1)NC(=O)C2=CC3=C(COC3)C=C2

DOS

IR

Vibrations