Geometry & MOs

Info

ID:	264343
PubChem CID:	103456050
Reduced:	ClOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	226.131742
ΔH_f, kcal/mol:	-94.88
Dipole, Da:	2.19
IP(EA), eV:	-9.68(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-1-(4-methoxy-2-methylpyrazol-3-yl)-3,3-dimethylbutan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)C1=C(C=CC(=C1)Cl)Cl)O

DOS

IR

Vibrations