Geometry & MOs

Info

ID:	330036
PubChem CID:	127247023
Reduced:	O2N6C17H20 (1)
Stoich.:	A2B6C17D20 (1)
Weight, g/mol:	324.169859
ΔH_f, kcal/mol:	-13.28
Dipole, Da:	4.65
IP(EA), eV:	-8.72(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropylpyrimidin-5-yl)-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(=O)NC1=NC=CC(=C1)C(=O)N2CCCC2C3=CN=CC(=N3)NC

DOS

IR

Vibrations