Geometry & MOs

Info

ID:	375945
PubChem CID:	134221942
Reduced:	ClF3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	423.07684
ΔH_f, kcal/mol:	-160.23
Dipole, Da:	4.13
IP(EA), eV:	-9.18(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-3-(3,4-dichloro-5-methylphenyl)-4,4,4-trifluorobut-1-enyl]naphthalen-1-yl]methanamine

Drug info:

PubChemData

Smile

C/C=C/C(C1=CCC(C(=C1)Cl)C)C(F)(F)F

DOS

IR

Vibrations