Geometry & MOs

Info

ID:	140560
PubChem CID:	52718996
Reduced:	BrN2O2C19H21 (1)
Stoich.:	AB2C2D19E21 (1)
Weight, g/mol:	470.13211
ΔH_f, kcal/mol:	-56.88
Dipole, Da:	3.13
IP(EA), eV:	-9.1(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-6-fluorophenyl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)C(=O)NCCC(=O)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations