Geometry & MOs

Info

ID:	272288
PubChem CID:	103737872
Reduced:	NO3C12H25 (1)
Stoich.:	AB3C12D25 (1)
Weight, g/mol:	240.220164
ΔH_f, kcal/mol:	-165.45
Dipole, Da:	3.48
IP(EA), eV:	-8.91(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)hexan-1-ol

Drug info:

PubChemData

Smile

CCN(CCCCCCO)CCC(=O)OC

DOS

IR

Vibrations