Geometry & MOs

Info

ID:	345801
PubChem CID:	127270101
Reduced:	O2N4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	355.237211
ΔH_f, kcal/mol:	-3.92
Dipole, Da:	9.19
IP(EA), eV:	-8.99(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1N2C=CN=C2)C(=O)CN3C=CC(=O)C4=CC=CC=C43

DOS

IR

Vibrations