Geometry & MOs

Info

ID:	376017
PubChem CID:	134222017
Reduced:	BrClO2N3F4H13C21 (1)
Stoich.:	ABC2D3E4F13G21 (1)
Weight, g/mol:	337.145362
ΔH_f, kcal/mol:	-190.42
Dipole, Da:	7.57
IP(EA), eV:	-9.7(-1.32)
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-fluorophenyl]methanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1/C=C/C(C2=CC(=C(C(=C2)Cl)F)N3C=CC(=NC3=O)N)C(F)(F)F)Br)C=O

DOS

IR

Vibrations