Geometry & MOs

Info

ID:	267309
PubChem CID:	103581718
Reduced:	BrClN2O2C14H18 (1)
Stoich.:	ABC2D2E14F18 (1)
Weight, g/mol:	319.03385
ΔH_f, kcal/mol:	-69.26
Dipole, Da:	3.93
IP(EA), eV:	-9.34(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1)NCC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations