Geometry & MOs

Info

ID:	363922
PubChem CID:	127313579
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-80.51
Dipole, Da:	4.41
IP(EA), eV:	-9.31(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C(=O)C2=CC3=C(COC3)C=C2)C

DOS

IR

Vibrations