Geometry & MOs

Info

ID:	273782
PubChem CID:	103799623
Reduced:	N3O5C13H21 (1)
Stoich.:	A3B5C13D21 (1)
Weight, g/mol:	295.114376
ΔH_f, kcal/mol:	-177.2
Dipole, Da:	4.43
IP(EA), eV:	-9.77(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

Drug info:

PubChemData

Smile

COCCN1C(=O)C=CC(=N1)C(=O)NC(CCO)COC

DOS

IR

Vibrations