Geometry & MOs

Info

ID:	209604
PubChem CID:	80693912
Reduced:	BrFON2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	346.06808
ΔH_f, kcal/mol:	-57.84
Dipole, Da:	3.35
IP(EA), eV:	-8.61(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-aminophenyl)-N-[(3-bromophenyl)methyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N)CCC(=O)NCC2=C(C=CC(=C2)F)Br

DOS

IR

Vibrations