Geometry & MOs

Info

ID:	329895
PubChem CID:	127246762
Reduced:	ON4C19H20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	323.17461
ΔH_f, kcal/mol:	29.29
Dipole, Da:	2.78
IP(EA), eV:	-8.62(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropylpyrimidin-5-yl)-[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C2CCCN2C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations