Geometry & MOs

Info

ID:	295732
PubChem CID:	117543467
Reduced:	O2N3C10H11 (1)
Stoich.:	A2B3C10D11 (1)
Weight, g/mol:	205.085127
ΔH_f, kcal/mol:	-19.5
Dipole, Da:	6.84
IP(EA), eV:	-8.42(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=C(NNC2=O)N

DOS

IR

Vibrations