Geometry & MOs

Info

ID:	217394
PubChem CID:	85087750
Reduced:	O3N5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	359.230788
ΔH_f, kcal/mol:	-100.12
Dipole, Da:	5.92
IP(EA), eV:	-9.67(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]-1,10-dihydroxydecan-5-one

Drug info:

PubChemData

Smile

CN1C2=NC(=NC(=O)C2=C3CCCCN3C1=O)C(=O)NC4CCCCC4

DOS

IR

Vibrations