Geometry & MOs

Info

ID:	420475
PubChem CID:	135113327
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	296.174945
ΔH_f, kcal/mol:	-131.96
Dipole, Da:	3.85
IP(EA), eV:	-9.52(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCC(CC1)C(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations