Geometry & MOs

Info

ID:	55285
PubChem CID:	17390004
Reduced:	NO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	217.121512
ΔH_f, kcal/mol:	-69.03
Dipole, Da:	1.31
IP(EA), eV:	-8.55(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminoethyl)-5-(2-methylphenyl)-1,2-dihydropyrazol-3-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(N1)C(=C(C=C2)C)C

DOS

IR

Vibrations