Geometry & MOs

Info

ID:	268579
PubChem CID:	103600060
Reduced:	INO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	386.94285
ΔH_f, kcal/mol:	-78.45
Dipole, Da:	3.57
IP(EA), eV:	-9.14(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-2-hydroxybenzamide

Drug info:

PubChemData

Smile

CCCC(C)NC(=O)C1=C(C=CC(=C1)I)O

DOS

IR

Vibrations