Geometry & MOs

Info

ID:	295729
PubChem CID:	117543447
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	189.090212
ΔH_f, kcal/mol:	-41.5
Dipole, Da:	4.48
IP(EA), eV:	-8.76(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=C(N(NC2=O)C)O

DOS

IR

Vibrations