Geometry & MOs

Info

ID:	267283
PubChem CID:	103581619
Reduced:	BrClN2O2C13H18 (1)
Stoich.:	ABC2D2E13F18 (1)
Weight, g/mol:	291.00255
ΔH_f, kcal/mol:	-73.28
Dipole, Da:	3.45
IP(EA), eV:	-9.46(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromo-3-chlorophenyl)methylamino]-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

COCCNC(=O)CCNCC1=CC(=C(C=C1)Br)Cl

DOS

IR

Vibrations