Geometry & MOs

Info

ID:	159411
PubChem CID:	57280027
Reduced:	NO5H17C19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	437.314123
ΔH_f, kcal/mol:	-73.67
Dipole, Da:	3.89
IP(EA), eV:	-9.19(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-aminooctadecyl 3,4,5-trihydroxybenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OCC2=NC=CO2)OC)C3=CC=CO3)C=CC=O

DOS

IR

Vibrations