Geometry & MOs

Info

ID:	285750
PubChem CID:	104125662
Reduced:	OSN4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	14.3
Dipole, Da:	5.13
IP(EA), eV:	-8.9(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-6-(methylamino)pyridin-4-yl]-(2-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CCCNC1=NC(=CC(=C1)C(=O)NC2=NC=CS2)C

DOS

IR

Vibrations