Geometry & MOs

Info

ID:	416444
PubChem CID:	135089457
Reduced:	O2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	358.179361
ΔH_f, kcal/mol:	-74.06
Dipole, Da:	4.36
IP(EA), eV:	-9.33(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)CCCN

DOS

IR

Vibrations