Geometry & MOs

Info

ID:	279316
PubChem CID:	103843035
Reduced:	BrOF2N2C12H13 (1)
Stoich.:	ABC2D2E12F13 (1)
Weight, g/mol:	340.00228
ΔH_f, kcal/mol:	-94.34
Dipole, Da:	2.42
IP(EA), eV:	-9.14(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromo-2,5-difluoroanilino)methyl]benzamide

Drug info:

PubChemData

Smile

C1CC1CNC(=O)CNC2=CC(=C(C=C2F)Br)F

DOS

IR

Vibrations