Geometry & MOs

Info

ID:	292975
PubChem CID:	117367537
Reduced:	N2O3C13H14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	246.100442
ΔH_f, kcal/mol:	-80.91
Dipole, Da:	6.19
IP(EA), eV:	-9.02(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-2-[4-(4-methylpyrazol-1-yl)phenyl]acetate

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC2=C(C=C1)N=C3N2CCC3)O

DOS

IR

Vibrations