Geometry & MOs

Info

ID:	260686
PubChem CID:	103199997
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	224.079707
ΔH_f, kcal/mol:	-96.21
Dipole, Da:	6.05
IP(EA), eV:	-9.13(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-oxobut-3-enoic acid

Drug info:

PubChemData

Smile

CC12CC3CC(C1)CC(C3)(C2)C4=NC(=C(S4)N)C(=O)O

DOS

IR

Vibrations