Geometry & MOs

Info

ID:	176036
PubChem CID:	75986219
Reduced:	NBr2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	448.191069
ΔH_f, kcal/mol:	-21.75
Dipole, Da:	7.92
IP(EA), eV:	-8.73(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(CO)NC=C2C=C(C=C(C2=O)Br)Br

DOS

IR

Vibrations