Geometry & MOs

Info

ID:	295740
PubChem CID:	117543517
Reduced:	ON2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-0.73
Dipole, Da:	3.8
IP(EA), eV:	-8.64(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-propan-2-yloxyphenyl)-1,2-dihydropyrazol-3-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations