Geometry & MOs

Info

ID:	329804
PubChem CID:	127246671
Reduced:	OSN3C18H23 (1)
Stoich.:	ABC3D18E23 (1)
Weight, g/mol:	332.163711
ΔH_f, kcal/mol:	-11.98
Dipole, Da:	7.2
IP(EA), eV:	-9.14(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-quinolin-8-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)C(=O)C3=CSC(=C3)C(C)C)C

DOS

IR

Vibrations