Geometry & MOs

Info

ID:	415321
PubChem CID:	135088315
Reduced:	NO3C19H35 (1)
Stoich.:	AB3C19D35 (1)
Weight, g/mol:	391.217224
ΔH_f, kcal/mol:	-189.89
Dipole, Da:	3.53
IP(EA), eV:	-8.59(1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(6-fluoro-2-methylquinolin-4-yl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCN(CC2)CCC3CCCCCC3)OC[C@@H]1O)O

DOS

IR

Vibrations