Geometry & MOs

Info

ID:	280679
PubChem CID:	103850702
Reduced:	FN2O3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	227.126991
ΔH_f, kcal/mol:	-148.88
Dipole, Da:	4.59
IP(EA), eV:	-10.1(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-2-(1H-pyrazol-5-yl)acetamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)C1=CN=C(C=C1)F

DOS

IR

Vibrations