Geometry & MOs

Info

ID:	169401
PubChem CID:	75101359
Reduced:	ClON2C22H31 (1)
Stoich.:	ABC2D22E31 (1)
Weight, g/mol:	357.124405
ΔH_f, kcal/mol:	-67.19
Dipole, Da:	4.37
IP(EA), eV:	-8.74(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3-chlorophenyl)ethyl]-5-(pyridin-2-ylmethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one

Drug info:

PubChemData

Smile

C1CCC2CN(CCC2C1)C3CCC(=O)N(CC3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations