Geometry & MOs

Info

ID:	37880
PubChem CID:	8025303
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	244.082347
ΔH_f, kcal/mol:	-79.69
Dipole, Da:	5.23
IP(EA), eV:	-8.88(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-4-(pyridin-2-ylmethylimino)pentan-2-one

Drug info:

PubChemData

Smile

C[C@H](CC(=O)N(C)C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C3=CC=CC=C3

DOS

IR

Vibrations