Geometry & MOs

Info

ID:	19651
PubChem CID:	569622
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-54.11
Dipole, Da:	3.31
IP(EA), eV:	-9.33(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1C(CC(=N1)C)(C2=CC=CC=C2)O

DOS

IR

Vibrations