Geometry & MOs

Info

ID:	277182
PubChem CID:	103827183
Reduced:	BrClON3C13H13 (1)
Stoich.:	ABCD3E13F13 (1)
Weight, g/mol:	346.99238
ΔH_f, kcal/mol:	12.95
Dipole, Da:	4.83
IP(EA), eV:	-9.43(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC#N)C(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations