Geometry & MOs

Info

ID:	290124
PubChem CID:	104412167
Reduced:	BrClSN3O3C12H17 (1)
Stoich.:	ABCD3E3F12G17 (1)
Weight, g/mol:	179.142248
ΔH_f, kcal/mol:	-101.76
Dipole, Da:	2.96
IP(EA), eV:	-9.88(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-methyl-N'-[(2-methylpyridin-3-yl)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)CNC(=O)CN(C)S(=O)(=O)C1=C(N=CC(=C1)Br)Cl

DOS

IR

Vibrations