Geometry & MOs

Info

ID:	383675
PubChem CID:	134975534
Reduced:	AgBrN2C5H6 (1)
Stoich.:	ABC2D5E6 (1)
Weight, g/mol:	212.116092
ΔH_f, kcal/mol:	55.47
Dipole, Da:	3.83
IP(EA), eV:	-8.12(-4.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-tert-butyl-4-hydroxy-1H-pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=N[N-]1)C)Br.[Ag+]

DOS

IR

Vibrations