Geometry & MOs

Info

ID:	396868
PubChem CID:	135029365
Reduced:	N2O5C23H30 (1)
Stoich.:	A2B5C23D30 (1)
Weight, g/mol:	273.129969
ΔH_f, kcal/mol:	-221.52
Dipole, Da:	3.76
IP(EA), eV:	-9.09(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexylsulfanyl-7,8-dihydro-6H-pyrimido[4,5-b]pyrrolizine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)C2=CC3=C(C=C2)N(C=C3)C(=O)OC(C)(C)C

DOS

IR

Vibrations