Geometry & MOs

Info

ID:	449990
PubChem CID:	135302997
Reduced:	FO2N3C26H34 (1)
Stoich.:	AB2C3D26E34 (1)
Weight, g/mol:	736.705709
ΔH_f, kcal/mol:	-73.99
Dipole, Da:	2.57
IP(EA), eV:	-8.52(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[2-(methylamino)ethyl-[9-(2-methyloctanoyloxy)nonyl]amino]nonyl 2-hexyldecanoate

Drug info:

PubChemData

Smile

CCC[C@H](C(=O)NC[C@@H](C1=NC=C(C=C1)F)O)C2(CC2)CC/C(=C/C=C)/C3=C(NC=C3)C

DOS

IR

Vibrations