Geometry & MOs

Info

ID:	407128
PubChem CID:	135079366
Reduced:	O4H24C27 (1)
Stoich.:	A4B24C27 (1)
Weight, g/mol:	334.129298
ΔH_f, kcal/mol:	-80.55
Dipole, Da:	3.27
IP(EA), eV:	-8.39(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-phenylbutan-2-ylideneamino)-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC(=O)OC(/C=C/C1=CC2=C(C=C1)C=C(C=C2)OC)C3=CC4=C(C=C3)C=C(C=C4)OC

DOS

IR

Vibrations