Geometry & MOs

Info

ID:	205721
PubChem CID:	80143514
Reduced:	OSN5C14H21 (1)
Stoich.:	ABC5D14E21 (1)
Weight, g/mol:	246.03678
ΔH_f, kcal/mol:	-5.96
Dipole, Da:	2.2
IP(EA), eV:	-8.8(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-tert-butyl-5-ethyl-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

CCCOC1=NC=NC(=C1N)NC(C)C2=C(N=C(S2)C)C

DOS

IR

Vibrations