Geometry & MOs

Info

ID:	184586
PubChem CID:	77179863
Reduced:	O3N7C20H29 (1)
Stoich.:	A3B7C20D29 (1)
Weight, g/mol:	397.214761
ΔH_f, kcal/mol:	-22.83
Dipole, Da:	3.58
IP(EA), eV:	-8.58(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethoxy]pyrimidin-2-yl]pyrrolidin-3-amine

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)C(=O)N2CCC(CC2)COC3=CN=C(N=C3)N4CCC(C4)N

DOS

IR

Vibrations