Geometry & MOs

Info

ID:	276945
PubChem CID:	103825905
Reduced:	FNO4C11H14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	213.111341
ΔH_f, kcal/mol:	-205.76
Dipole, Da:	6.44
IP(EA), eV:	-9.7(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydroxypropyl)-1,3-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)NCC(CO)O)F

DOS

IR

Vibrations