Geometry & MOs

Info

ID:	25089
PubChem CID:	618936
Reduced:	N3O3C12H13 (1)
Stoich.:	A3B3C12D13 (1)
Weight, g/mol:	247.095691
ΔH_f, kcal/mol:	-59.19
Dipole, Da:	4.89
IP(EA), eV:	-8.56(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=NNC(=C2)C(=O)N)OC

DOS

IR

Vibrations