Geometry & MOs

Info

ID:	295727
PubChem CID:	117543435
Reduced:	N2O4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	248.116092
ΔH_f, kcal/mol:	-113.54
Dipole, Da:	4.34
IP(EA), eV:	-8.13(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-methyl-4-(4-propan-2-yloxyphenyl)-1H-pyrazol-5-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)C2=C(N(NC2=O)C)O)OC

DOS

IR

Vibrations