Geometry & MOs

Info

ID:	329832
PubChem CID:	127246699
Reduced:	N3O3C18H19 (1)
Stoich.:	A3B3C18D19 (1)
Weight, g/mol:	338.177647
ΔH_f, kcal/mol:	-52.42
Dipole, Da:	4.6
IP(EA), eV:	-8.59(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations