Geometry & MOs

Info

ID:	396869
PubChem CID:	135029367
Reduced:	SN3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	281.116427
ΔH_f, kcal/mol:	34.99
Dipole, Da:	5.71
IP(EA), eV:	-8.43(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenoxy)-7,8-dihydro-6H-pyrimido[4,5-b]pyrrolizine

Drug info:

PubChemData

Smile

C1CCC(CC1)SC2=NC=NC3=C2N4CCCC4=C3

DOS

IR

Vibrations