Geometry & MOs

Info

ID:	149813
PubChem CID:	53789490
Reduced:	O5C25H34 (1)
Stoich.:	A5B25C34 (1)
Weight, g/mol:	491.373961
ΔH_f, kcal/mol:	-158.04
Dipole, Da:	5.45
IP(EA), eV:	-9.59(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-(dimethylamino)ethoxy-hydroxyphosphanyl]oxy-5-methylicosan-2-yl] formate

Drug info:

PubChemData

Smile

CC(CC(=O)OO)[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(C=CC(=O)C4)C)C)C(=O)C

DOS

IR

Vibrations