Geometry & MOs

Info

ID:	31181
PubChem CID:	855028
Reduced:	BrNOH14C16 (1)
Stoich.:	ABCD14E16 (1)
Weight, g/mol:	307.077535
ΔH_f, kcal/mol:	22.42
Dipole, Da:	5.19
IP(EA), eV:	-9.13(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-fluoroanilino)-1-(4-methoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]1C(=O)NC2=CC(=CC=C2)Br)C3=CC=CC=C3

DOS

IR

Vibrations