Geometry & MOs

Info

ID:	240483
PubChem CID:	93580839
Reduced:	NO7C25H33 (1)
Stoich.:	AB7C25D33 (1)
Weight, g/mol:	224.127326
ΔH_f, kcal/mol:	-230.87
Dipole, Da:	3.05
IP(EA), eV:	-8.78(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-aminopyrazol-1-yl)-N-[[(3S)-oxolan-3-yl]methyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CN(C[C@H]2CCCO2)C[C@@H](COC3=CC=CC=C3C=O)O

DOS

IR

Vibrations