Geometry & MOs

Info

ID:	141702
PubChem CID:	52918871
Reduced:	NO3H19C20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	814.429213
ΔH_f, kcal/mol:	-35.67
Dipole, Da:	7.41
IP(EA), eV:	-9.28(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1(C(CC2=CC=CC=C21)OC3=CC=C(C=C3)C4=CC(=O)NO4)C

DOS

IR

Vibrations