Geometry & MOs

Info

ID:	268899
PubChem CID:	103602020
Reduced:	BrN2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	247.082013
ΔH_f, kcal/mol:	-36.55
Dipole, Da:	1.49
IP(EA), eV:	-9.43(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-difluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CN(CCC#N)C(=O)C1=C(C=CC(=C1)Br)O

DOS

IR

Vibrations