Geometry & MOs

Info

ID:	200906
PubChem CID:	79460458
Reduced:	NSO4C13H17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	321.01645
ΔH_f, kcal/mol:	-146.55
Dipole, Da:	3.88
IP(EA), eV:	-8.74(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-(4-fluoro-2-methylphenyl)-4-methylbenzamide

Drug info:

PubChemData

Smile

COC1=CSC(=C1)C(=O)N2CCC(CC2)C(=O)OC

DOS

IR

Vibrations