Geometry & MOs

Info

ID:	329930
PubChem CID:	127246797
Reduced:	ON5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-4.61
Dipole, Da:	6.22
IP(EA), eV:	-8.47(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NC=CN1CCC(=O)N2CCCC2C3=CC(=NC=C3)N(C)C

DOS

IR

Vibrations