Geometry & MOs

Info

ID:	277057
PubChem CID:	103826530
Reduced:	BrClN2O2H12C14 (1)
Stoich.:	ABC2D2E12F14 (1)
Weight, g/mol:	366.99747
ΔH_f, kcal/mol:	-34.46
Dipole, Da:	2.93
IP(EA), eV:	-9.44(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

COC1=NC=CC(=C1)CNC(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations