Geometry & MOs

Info

ID:	289508
PubChem CID:	104359032
Reduced:	BrClON2C14H16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	262.97125
ΔH_f, kcal/mol:	3.75
Dipole, Da:	3.34
IP(EA), eV:	-9.28(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(3-bromo-2-chlorophenyl)propan-1-ol

Drug info:

PubChemData

Smile

CCCNC(C)C1=NC=C(O1)C2=C(C(=CC=C2)Br)Cl

DOS

IR

Vibrations