Geometry & MOs

Info

ID:	279153
PubChem CID:	103841720
Reduced:	BrClON2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	316.98182
ΔH_f, kcal/mol:	2.19
Dipole, Da:	5.53
IP(EA), eV:	-9.78(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-(oxan-4-yl)benzamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CNC(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations