Geometry & MOs

Info

ID:	218922
PubChem CID:	85090163
Reduced:	NO6C31H45 (1)
Stoich.:	AB6C31D45 (1)
Weight, g/mol:	528.13727
ΔH_f, kcal/mol:	-279.4
Dipole, Da:	3.1
IP(EA), eV:	-9.5(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCCCC(=O)CCCCCCC=CCC1C2C(COC(O2)(C)C)(C(=O)O1)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations