Geometry & MOs

Info

ID:	277190
PubChem CID:	103827217
Reduced:	BrClNO2C12H13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	352.98182
ΔH_f, kcal/mol:	-56.85
Dipole, Da:	4.73
IP(EA), eV:	-10.03(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-[1-(3-hydroxyphenyl)ethyl]benzamide

Drug info:

PubChemData

Smile

C1CC1(CNC(=O)C2=CC(=CC(=C2)Br)Cl)CO

DOS

IR

Vibrations