Geometry & MOs

Info

ID:	420364
PubChem CID:	135112731
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	380.181253
ΔH_f, kcal/mol:	-57.08
Dipole, Da:	6.09
IP(EA), eV:	-8.68(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(6,8-difluoro-2-methylquinolin-4-yl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)CC4=CC=C(O4)C(=O)O

DOS

IR

Vibrations