Geometry & MOs

Info

ID:	280688
PubChem CID:	103850730
Reduced:	FNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	272.11207
ΔH_f, kcal/mol:	-148.93
Dipole, Da:	3.13
IP(EA), eV:	-9.83(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-2-(4-nitropyrazol-1-yl)acetamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)/C=C/C1=CC=CC=C1F

DOS

IR

Vibrations