Geometry & MOs

Info

ID:	141424
PubChem CID:	52875826
Reduced:	NO5C10H11 (1)
Stoich.:	AB5C10D11 (1)
Weight, g/mol:	398.206639
ΔH_f, kcal/mol:	-194.62
Dipole, Da:	7.49
IP(EA), eV:	-9.32(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C(=O)OCC(=O)N)O)O

DOS

IR

Vibrations