Geometry & MOs

Info

ID:	376166
PubChem CID:	134222171
Reduced:	ClNO2F4H20C27 (1)
Stoich.:	ABC2D4E20F27 (1)
Weight, g/mol:	333.170434
ΔH_f, kcal/mol:	-226.0
Dipole, Da:	4.05
IP(EA), eV:	-9.43(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-3-(3,4-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)C)C(/C=C/C2=CC(=C(C=C2)CN3C(=O)C4=CC=CC=C4C3=O)F)C(F)(F)F

DOS

IR

Vibrations