Geometry & MOs

Info

ID:	222483
PubChem CID:	85300869
Reduced:	O4C21H24 (1)
Stoich.:	A4B21C24 (1)
Weight, g/mol:	340.059025
ΔH_f, kcal/mol:	-134.01
Dipole, Da:	1.5
IP(EA), eV:	-9.36(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminoanilino)-4-(4-chlorophenyl)-1,1,1-trifluorobut-3-en-2-one

Drug info:

PubChemData

Smile

CC1(OC(C(O1)C(C(C2=CC=CC=C2)O)O)C=CC3=CC=CC=C3)C

DOS

IR

Vibrations