Geometry & MOs

Info

ID:	223969
PubChem CID:	85336398
Reduced:	N2O4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	401.314123
ΔH_f, kcal/mol:	-154.26
Dipole, Da:	3.6
IP(EA), eV:	-8.48(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-acetyloxy-2-amino-1-hydroxyoctadecan-4-yl) acetate

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O.C1CC(CN2C1CNCC2)CO

DOS

IR

Vibrations