Geometry & MOs

Info

ID:	205378
PubChem CID:	80093344
Reduced:	N3O3H11C12 (1)
Stoich.:	A3B3C11D12 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	-35.29
Dipole, Da:	1.25
IP(EA), eV:	-9.88(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[1,3-dimethyl-5-(2-methylpyridin-3-yl)oxypyrazol-4-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)OC2=NC(=CN=C2)C(=O)OC

DOS

IR

Vibrations