Geometry & MOs

Info

ID:	31955
PubChem CID:	3725216
Reduced:	NO2H15C17 (2)
Stoich.:	AB2C15D17 (2)
Weight, g/mol:	413.269496
ΔH_f, kcal/mol:	-45.54
Dipole, Da:	9.12
IP(EA), eV:	-8.51(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-dimethoxyphosphorylbutan-1-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C5=CC=CC=C5)C6=CC(=CC=C6)OC)C(=O)C2

DOS

IR

Vibrations