Geometry & MOs

Info

ID:	373456
PubChem CID:	131315606
Reduced:	N3C11H15 (1)
Stoich.:	A3B11C15 (1)
Weight, g/mol:	373.82062
ΔH_f, kcal/mol:	35.35
Dipole, Da:	4.86
IP(EA), eV:	-8.71(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-3-hydroxy-5-iodophenyl)-2-chloroethanone

Drug info:

PubChemData

Smile

CCC[C@@H](C1=CNC2=C1C=CN=C2)N

DOS

IR

Vibrations