Geometry & MOs

Info

ID:	329926
PubChem CID:	127246793
Reduced:	ON6C18H20 (1)
Stoich.:	AB6C18D20 (1)
Weight, g/mol:	348.135304
ΔH_f, kcal/mol:	70.91
Dipole, Da:	6.72
IP(EA), eV:	-8.34(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-1,2-oxazol-5-yl)-1-[2-[2-(dimethylamino)pyridin-4-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN(C)C1=NC=CC(=C1)C2CCCN2C(=O)C3=C4N=CC=CN4N=C3

DOS

IR

Vibrations