Geometry & MOs

Info

ID:	282735
PubChem CID:	103937473
Reduced:	O2S2N3C14H23 (1)
Stoich.:	A2B2C3D14E23 (1)
Weight, g/mol:	271.135448
ΔH_f, kcal/mol:	-58.88
Dipole, Da:	2.91
IP(EA), eV:	-8.86(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1R)-1-aminopropyl]-N-methyl-N-(2-methylsulfonylethyl)pyridin-3-amine

Drug info:

PubChemData

Smile

CC[C@@H](C1=NC=C(C=C1)N2CCSCC2S(=O)(=O)CC)N

DOS

IR

Vibrations