Geometry & MOs

Info

ID:	325744
PubChem CID:	126684731
Reduced:	NO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	499.434059
ΔH_f, kcal/mol:	-34.83
Dipole, Da:	2.18
IP(EA), eV:	-9.41(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-12-(5-butylthiolan-2-yl)-6-ethyl-5,9,10,11-tetramethyl-8-phosphanyldodecan-1-amine

Drug info:

PubChemData

Smile

CCCC(C1=CC2=C(C=C1)C=C(O2)C=O)N

DOS

IR

Vibrations