Geometry & MOs

Info

ID:	213435
PubChem CID:	81063692
Reduced:	BrSN2O4C13H19 (1)
Stoich.:	ABC2D4E13F19 (1)
Weight, g/mol:	313.19209
ΔH_f, kcal/mol:	-145.56
Dipole, Da:	2.65
IP(EA), eV:	-9.7(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)pyridin-2-amine

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C(=O)C1=CC(=CC(=C1)Br)S(=O)(=O)N

DOS

IR

Vibrations