Geometry & MOs

Info

ID:	264344
PubChem CID:	103456114
Reduced:	N2O3C11H18 (1)
Stoich.:	A2B3C11D18 (1)
Weight, g/mol:	318.05791
ΔH_f, kcal/mol:	-92.23
Dipole, Da:	2.93
IP(EA), eV:	-9.04(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-bromo-2-(2-methoxyethyl)pyrazol-3-yl]-2-hydroxy-3,3-dimethylbutan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)C1=C(C=NN1C)OC)O

DOS

IR

Vibrations