Geometry & MOs

Info

ID:	329947
PubChem CID:	127246934
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	339.172896
ΔH_f, kcal/mol:	-47.71
Dipole, Da:	5.25
IP(EA), eV:	-8.59(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrazin-2-amine

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2C(=O)CC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations