Geometry & MOs

Info

ID:	422329
PubChem CID:	135117648
Reduced:	ClNO3C22H24 (1)
Stoich.:	ABC3D22E24 (1)
Weight, g/mol:	330.132805
ΔH_f, kcal/mol:	-114.06
Dipole, Da:	4.61
IP(EA), eV:	-9.03(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanamide

Drug info:

PubChemData

Smile

C1C[C@@H]2CN(C[C@@H]2[C@](C1)(C3=CC=CC=C3)O)C(=O)CC4=CC(=C(C=C4)O)Cl

DOS

IR

Vibrations