Geometry & MOs

Info

ID:	342959
PubChem CID:	127266122
Reduced:	SN2O3C17H26 (1)
Stoich.:	AB2C3D17E26 (1)
Weight, g/mol:	311.17461
ΔH_f, kcal/mol:	-128.8
Dipole, Da:	5.79
IP(EA), eV:	-9.39(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]piperidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2CCN(C(=O)C2)C

DOS

IR

Vibrations