Geometry & MOs

Info

ID:	304103
PubChem CID:	124493566
Reduced:	ON3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	317.119798
ΔH_f, kcal/mol:	7.32
Dipole, Da:	6.11
IP(EA), eV:	-8.6(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)C2=CC=CC=C2)C3=C(N=CC=C3)N

DOS

IR

Vibrations