Geometry & MOs

Info

ID:	262274
PubChem CID:	103281514
Reduced:	O2N5C12H19 (1)
Stoich.:	A2B5C12D19 (1)
Weight, g/mol:	217.157898
ΔH_f, kcal/mol:	-12.83
Dipole, Da:	3.81
IP(EA), eV:	-9.17(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]benzimidazole

Drug info:

PubChemData

Smile

COC(=O)C1=NNN2C1=NCCC2C3CCCNC3

DOS

IR

Vibrations