Geometry & MOs

Info

ID:	418095
PubChem CID:	135103505
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	317.137556
ΔH_f, kcal/mol:	-135.49
Dipole, Da:	3.32
IP(EA), eV:	-9.18(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(C)C(=O)[C@@H]2CC[C@@H]([C@@H](C2)OC)O

DOS

IR

Vibrations