Geometry & MOs

Info

ID:	126230
PubChem CID:	50956283
Reduced:	N7H17C21 (1)
Stoich.:	A7B17C21 (1)
Weight, g/mol:	342.183795
ΔH_f, kcal/mol:	173.34
Dipole, Da:	4.03
IP(EA), eV:	-9.19(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[6-amino-2-(diethylamino)pyrimidin-4-yl]piperidin-4-yl]methanesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N(C=N2)CC3=NC(=NN3)C4=CC=CC=C4)C5=CN=CN5

DOS

IR

Vibrations