Geometry & MOs

Info

ID:	59743
PubChem CID:	24895404
Reduced:	O4C25H32 (1)
Stoich.:	A4B25C32 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	-156.59
Dipole, Da:	5.46
IP(EA), eV:	-9.89(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[5-(3-ethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)C4=C[C@H](CC[C@]34C)OC(=O)C5CC5)C

DOS

IR

Vibrations