Geometry & MOs

Info

ID:	354758
PubChem CID:	127287518
Reduced:	SO3N4C17H28 (1)
Stoich.:	AB3C4D17E28 (1)
Weight, g/mol:	311.210996
ΔH_f, kcal/mol:	-111.35
Dipole, Da:	4.56
IP(EA), eV:	-8.73(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(azepan-1-yl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(CNC1=C(C=CC=N1)S(=O)(=O)N2CCCCC2)N3CCOCC3

DOS

IR

Vibrations