Geometry & MOs

Info

ID:	329805
PubChem CID:	127246672
Reduced:	ON4C20H20 (1)
Stoich.:	AB4C20D20 (1)
Weight, g/mol:	332.163711
ΔH_f, kcal/mol:	31.82
Dipole, Da:	7.03
IP(EA), eV:	-8.99(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-quinolin-3-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)C(=O)C3=CC=CC4=C3N=CC=C4)C

DOS

IR

Vibrations