Geometry & MOs

Info

ID:	296839
PubChem CID:	117596124
Reduced:	O9H20C24 (1)
Stoich.:	A9B20C24 (1)
Weight, g/mol:	842.197769
ΔH_f, kcal/mol:	-322.7
Dipole, Da:	3.98
IP(EA), eV:	-8.47(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxy-4,6-dimethoxyphenyl)-phenylmethanone;[6-hydroxy-3,4,5-tris(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1O)C(=O)C3=C(C=C(C(=C3C2=O)O)C)O)O.CC(=O)OC1=CC=C(C=C1)O

DOS

IR

Vibrations