Geometry & MOs

Info

ID:	149317
PubChem CID:	53788989
Reduced:	NPSO2C10H22 (1)
Stoich.:	ABCD2E10F22 (1)
Weight, g/mol:	259.14331
ΔH_f, kcal/mol:	-169.98
Dipole, Da:	3.36
IP(EA), eV:	-8.78(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-2,3,3a,5a,6,11a-hexahydro-1H-benzimidazolo[2,1-b]purin-4-one

Drug info:

PubChemData

Smile

CC(C)COP(=O)(C)C1C(SCN1)(C)C

DOS

IR

Vibrations