Geometry & MOs

Info

ID:	205719
PubChem CID:	80142796
Reduced:	ClON4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	320.05243
ΔH_f, kcal/mol:	-11.29
Dipole, Da:	2.56
IP(EA), eV:	-8.85(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-cyclopropyl-2-(3-phenylpropyl)-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

CC(C)OC1=NC=NC(=C1N)NC(C)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations