Geometry & MOs

Info

ID:	155367
PubChem CID:	56352967
Reduced:	SO4N6C21H28 (1)
Stoich.:	AB4C6D21E28 (1)
Weight, g/mol:	390.170333
ΔH_f, kcal/mol:	-98.9
Dipole, Da:	4.92
IP(EA), eV:	-9.26(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[3-carbamoyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carbonyl]piperidine-2-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1N2C=NC=N2)C(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations