Geometry & MOs

Info

ID:	122183
PubChem CID:	50797108
Reduced:	O2N5C23H29 (1)
Stoich.:	A2B5C23D29 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	-10.74
Dipole, Da:	4.99
IP(EA), eV:	-8.2(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-5-oxo-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN3C=CN=C(C3=C2)N4CCC(CC4)C(=O)NCCOC)C

DOS

IR

Vibrations