Geometry & MOs

Info

ID:	376011
PubChem CID:	134222011
Reduced:	NF3O6C35H38 (1)
Stoich.:	AB3C6D35E38 (1)
Weight, g/mol:	372.029555
ΔH_f, kcal/mol:	-398.29
Dipole, Da:	11.4
IP(EA), eV:	-8.61(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]-2-methylbenzaldehyde

Drug info:

PubChemData

Smile

CC1=CC2=C(CCN2C(=O)C3=CC(=C(C=C3)OC)C)C(=C1[C@@H](C(=O)O)OC(C)(C)C)C4=CC(=C5C(=C4C)CCCO5)C(F)(F)F

DOS

IR

Vibrations