Geometry & MOs

Info

ID:	417078
PubChem CID:	135091283
Reduced:	N6O6C33H46 (1)
Stoich.:	A6B6C33D46 (1)
Weight, g/mol:	310.146347
ΔH_f, kcal/mol:	-240.92
Dipole, Da:	6.66
IP(EA), eV:	-9.01(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-1'-methylsulfonylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC3=CC(=CC=C3)OCC(=O)N)C(C)C

DOS

IR

Vibrations