Geometry & MOs

Info

ID:	185145
PubChem CID:	77261927
Reduced:	SiN3O5C42H63 (1)
Stoich.:	AB3C5D42E63 (1)
Weight, g/mol:	218.116761
ΔH_f, kcal/mol:	-264.93
Dipole, Da:	4.78
IP(EA), eV:	-8.32(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyridin-3-yl-1,2,3,4a,5,6,7,7a-octahydropyrrolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC1=C(C=CC(=C1)C(CNCCCCCCCCCN2CCC(CC2)N(C3=CC=CC=C3C4=CC=CC=C4)C(=O)O)O)O

DOS

IR

Vibrations