Geometry & MOs

Info

ID:	329927
PubChem CID:	127246794
Reduced:	ClO2N4C17H21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-6.42
Dipole, Da:	4.89
IP(EA), eV:	-8.42(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=CC(=C1)C2CCCN2C(=O)CCC3=CC(=NO3)Cl

DOS

IR

Vibrations