Geometry & MOs

Info

ID:	39476
PubChem CID:	8140929
Reduced:	BrNO4C18H20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	402.97863
ΔH_f, kcal/mol:	-115.62
Dipole, Da:	5.92
IP(EA), eV:	-8.98(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2-methoxyphenyl)methyl]-2-chloro-4,5-difluoro-N-methylbenzamide

Drug info:

PubChemData

Smile

CN(CC1=C(C=CC(=C1)Br)OC)C(=O)C2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations