Geometry & MOs

Info

ID:	267313
PubChem CID:	103581738
Reduced:	BrClNC11H13 (1)
Stoich.:	ABCD11E13 (1)
Weight, g/mol:	291.00255
ΔH_f, kcal/mol:	29.63
Dipole, Da:	3.55
IP(EA), eV:	-9.32(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC1)NCC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations