Geometry & MOs

Info

ID:	418649
PubChem CID:	135106500
Reduced:	NO2C19H27 (1)
Stoich.:	AB2C19D27 (1)
Weight, g/mol:	406.156039
ΔH_f, kcal/mol:	-93.0
Dipole, Da:	5.09
IP(EA), eV:	-9.18(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1C(=O)N2CCC[C@@]3(C2)CCC[C@H]3OC

DOS

IR

Vibrations