Geometry & MOs

Info

ID:	295739
PubChem CID:	117543511
Reduced:	NOC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	216.126263
ΔH_f, kcal/mol:	-17.56
Dipole, Da:	2.51
IP(EA), eV:	-8.45(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-tert-butylphenyl)-1,2-dihydropyrazol-3-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CNNC2=O

DOS

IR

Vibrations