Geometry & MOs

Info

ID:	230369
PubChem CID:	87570733
Reduced:	O12C35H40 (2)
Stoich.:	A12B35C40 (2)
Weight, g/mol:	333.058833
ΔH_f, kcal/mol:	-509.53
Dipole, Da:	7.32
IP(EA), eV:	-8.56(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenyl-N,2-bis(trifluoromethyl)benzamide

Drug info:

Smile

C1C(O1)COC2=CC(=C(C(=C2)OCC3CO3)C45CC6(CC(C4)(CC(C5)(C6)C7=C(C=C(C=C7OCC8CO8)OCC9CO9)OCC1CO1)C1=C(C=C(C=C1OCC1CO1)OCC1CO1)OCC1CO1)C1=C(C=C(C=C1OCC1CO1)OCC1CO1)OCC1CO1)OCC1CO1

DOS

IR

Vibrations