Geometry & MOs

Info

ID:	425674
PubChem CID:	135127307
Reduced:	O2N3C23H27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	665.595825
ΔH_f, kcal/mol:	-32.87
Dipole, Da:	1.82
IP(EA), eV:	-8.52(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(ethylamino)-2-octadecanoyloxy-3-oxopropyl] octadecanoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=NNC(=C2C=C1)CC(C)(C)C3=CC4=C(C=C3)OCC(=O)N4

DOS

IR

Vibrations