Geometry & MOs

Info

ID:	157951
PubChem CID:	56459340
Reduced:	OF2N4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	455.253255
ΔH_f, kcal/mol:	-85.77
Dipole, Da:	4.56
IP(EA), eV:	-8.49(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CCN(CCNC(=O)C1=CC2=C(C=C1)N=C(N2)C(F)F)C3=CC=CC(=C3)C

DOS

IR

Vibrations