Geometry & MOs

Info

ID:	415589
PubChem CID:	135088587
Reduced:	ON2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	373.200156
ΔH_f, kcal/mol:	-37.93
Dipole, Da:	5.42
IP(EA), eV:	-8.67(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1C)NCC(C2=CC=CO2)N(C)C)C(=O)N

DOS

IR

Vibrations