Geometry & MOs

Info

ID:	130167
PubChem CID:	51075128
Reduced:	F3N3O4C13H16 (1)
Stoich.:	A3B3C4D13E16 (1)
Weight, g/mol:	311.17461
ΔH_f, kcal/mol:	-311.77
Dipole, Da:	6.78
IP(EA), eV:	-9.84(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,5E)-1-ethyl-3,5-bis[(1-methylpyrazol-4-yl)methylidene]piperidin-4-one

Drug info:

PubChemData

Smile

CC(COC)NC(=O)CN1C(=CC=C(C1=O)C(=O)N)C(F)(F)F

DOS

IR

Vibrations