Geometry & MOs

Info

ID:	176425
PubChem CID:	76047374
Reduced:	C20H39 (2)
Stoich.:	A20B39 (2)
Weight, g/mol:	446.147786
ΔH_f, kcal/mol:	-164.28
Dipole, Da:	0.3
IP(EA), eV:	-9.11(1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-hydroxy-5-(hydroxymethyl)-3-pyren-1-yloxyoxolan-2-yl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC(C)CCCC(C)CCCC(C)CC=CC(C)CCCCC(C)CCCC(C)CCC=C(C)CCCC(C)C

DOS

IR

Vibrations