Geometry & MOs

Info

ID:	376185
PubChem CID:	134222190
Reduced:	BrO2F3H16C19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	452.207548
ΔH_f, kcal/mol:	-203.17
Dipole, Da:	7.04
IP(EA), eV:	-9.48(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-(3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methyl-N-[(6-methylpyridin-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(/C=C/C2=CC(=C(C=C2)C(=O)O)Br)C(F)(F)F)C

DOS

IR

Vibrations