Geometry & MOs

Info

ID:	205978
PubChem CID:	80185917
Reduced:	BrClNOF2H9C14 (1)
Stoich.:	ABCDE2F9G14 (1)
Weight, g/mol:	353.02268
ΔH_f, kcal/mol:	-100.74
Dipole, Da:	2.2
IP(EA), eV:	-9.3(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromophenyl)methyl]-2-(3,4-difluorophenyl)-N-methylacetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)CC(=O)NC2=C(C=CC(=C2)Br)Cl

DOS

IR

Vibrations