Geometry & MOs

Info

ID:	329821
PubChem CID:	127246688
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	283.135448
ΔH_f, kcal/mol:	-62.11
Dipole, Da:	7.65
IP(EA), eV:	-8.53(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-(1-propylsulfonylpyrrolidin-2-yl)pyridin-2-amine

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C2CCCN2C(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations