Geometry & MOs

Info

ID:	190724
PubChem CID:	78048185
Reduced:	NO2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	364.142307
ΔH_f, kcal/mol:	-170.56
Dipole, Da:	7.99
IP(EA), eV:	-8.55(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-2-oxo-6-(2-phenyl-1,3-benzoxazol-6-yl)piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1C(C(C(=O)NC1C2=CC=C(C=C2)N(C)C)C(=O)O)O

DOS

IR

Vibrations