Geometry & MOs

Info

ID:	201786
PubChem CID:	79583674
Reduced:	N2O3C12H20 (1)
Stoich.:	A2B3C12D20 (1)
Weight, g/mol:	224.116092
ΔH_f, kcal/mol:	-128.12
Dipole, Da:	3.66
IP(EA), eV:	-9.43(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(1,5-dimethylpyrazol-4-yl)-3-methyl-4-oxobutanoate

Drug info:

PubChemData

Smile

CCC(C(C1=C(N(N=C1)C)C)O)C(=O)OCC

DOS

IR

Vibrations