Geometry & MOs

Info

ID:	209603
PubChem CID:	80693911
Reduced:	BrON2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	350.043
ΔH_f, kcal/mol:	-16.66
Dipole, Da:	1.53
IP(EA), eV:	-8.54(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-aminophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)Br)NC(=O)CCC2=CC(=CC=C2)N

DOS

IR

Vibrations