Geometry & MOs

Info

ID:	329840
PubChem CID:	127246707
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	323.076219
ΔH_f, kcal/mol:	-64.47
Dipole, Da:	4.71
IP(EA), eV:	-8.52(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)pyridin-2-amine

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C2CCCN2C(=O)COC3=CC=C(C=C3)OC

DOS

IR

Vibrations