Geometry & MOs

Info

ID:	277133
PubChem CID:	103826908
Reduced:	BrClNO3C14H17 (1)
Stoich.:	ABCD3E14F17 (1)
Weight, g/mol:	334.97125
ΔH_f, kcal/mol:	-130.49
Dipole, Da:	2.31
IP(EA), eV:	-9.9(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-5-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone

Drug info:

PubChemData

Smile

CCOC(=O)CN(C(C)C)C(=O)C1=CC(=CC(=C1)Br)Cl

DOS

IR

Vibrations