Geometry & MOs

Info

ID:	52999
PubChem CID:	14709375
Reduced:	NOC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	240.129634
ΔH_f, kcal/mol:	-59.33
Dipole, Da:	2.74
IP(EA), eV:	-8.68(2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7a-hydroxy-1-methylspiro[4a,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidine-4,1'-cyclopentane]-2-thione

Drug info:

PubChemData

Smile

CN1COC2CCCC2C13CCCC3

DOS

IR

Vibrations