Geometry & MOs

Info

ID:	363949
PubChem CID:	127313606
Reduced:	OSN2C12H18 (1)
Stoich.:	ABC2D12E18 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	-39.08
Dipole, Da:	2.92
IP(EA), eV:	-9.32(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-dimethylpiperidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC=C(S1)C(=O)N2CCCC(C2)(C)C

DOS

IR

Vibrations