Geometry & MOs

Info

ID:	121047
PubChem CID:	50754226
Reduced:	ClN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	429.101082
ΔH_f, kcal/mol:	-18.03
Dipole, Da:	3.62
IP(EA), eV:	-8.96(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(CNC(=O)C1=NOC(=C1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations