Geometry & MOs

Info

ID:	190217
PubChem CID:	77971030
Reduced:	NO4C21H27 (1)
Stoich.:	AB4C21D27 (1)
Weight, g/mol:	350.122634
ΔH_f, kcal/mol:	-133.73
Dipole, Da:	5.23
IP(EA), eV:	-8.18(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3,4-trihydroxypentan-2-yloxymethyl)-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10,12-dione

Drug info:

PubChemData

Smile

CC1C(CC2C13CCN(CC4=C3C(=C(C=C4)OC)O2)C)OC(=O)C5CC5

DOS

IR

Vibrations