Geometry & MOs

Info

ID:	124343
PubChem CID:	50879849
Reduced:	O3N5C9H13 (1)
Stoich.:	A3B5C9D13 (1)
Weight, g/mol:	389.033397
ΔH_f, kcal/mol:	-49.46
Dipole, Da:	7.36
IP(EA), eV:	-9.39(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1N=C(N=N1)N2CC(CC2=O)C(=O)OC

DOS

IR

Vibrations