Geometry & MOs

Info

ID:	215065
PubChem CID:	85084082
Reduced:	NO7C42H53 (1)
Stoich.:	AB7C42D53 (1)
Weight, g/mol:	687.13745
ΔH_f, kcal/mol:	-285.94
Dipole, Da:	6.26
IP(EA), eV:	-9.94(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCC1C(C(C(=O)O1)(COC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations