Geometry & MOs

Info

ID:	295643
PubChem CID:	117541241
Reduced:	BrOSN2C13H15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	233.037419
ΔH_f, kcal/mol:	2.64
Dipole, Da:	3.97
IP(EA), eV:	-8.63(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dichlorophenyl)-3-(methylamino)propan-1-ol

Drug info:

PubChemData

Smile

CNC1=NC(=C(S1)CCC2=CC=CC=C2OC)Br

DOS

IR

Vibrations