Geometry & MOs

Info

ID:	340865
PubChem CID:	127263300
Reduced:	SO9C23H36 (1)
Stoich.:	AB9C23D36 (1)
Weight, g/mol:	251.049526
ΔH_f, kcal/mol:	-194.84
Dipole, Da:	2.55
IP(EA), eV:	-8.4(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(aminomethyl)pyridin-2-yl]-N-methylmethanesulfonamide;hydrochloride

Drug info:

PubChemData

Smile

CCCOOC1C(C(OC(C1OOCCC)SC2=CC=C(C=C2)C)C(=O)OC)OOCCC

DOS

IR

Vibrations