Geometry & MOs

Info

ID:	329869
PubChem CID:	127246736
Reduced:	ON5C20H25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	318.115047
ΔH_f, kcal/mol:	15.98
Dipole, Da:	7.13
IP(EA), eV:	-8.52(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-(1-pyridin-3-ylsulfonylpyrrolidin-2-yl)pyridin-2-amine

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C2CCCN2C(=O)C3=CC(=NC=C3)N4CCCC4

DOS

IR

Vibrations