Geometry & MOs

Info

ID:	267326
PubChem CID:	103581836
Reduced:	BrClNC11H11 (1)
Stoich.:	ABCD11E11 (1)
Weight, g/mol:	305.0182
ΔH_f, kcal/mol:	62.74
Dipole, Da:	3.93
IP(EA), eV:	-9.44(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC#CCNCC1=CC(=C(C=C1)Br)Cl

DOS

IR

Vibrations