Geometry & MOs

Info

ID:	424299
PubChem CID:	135122124
Reduced:	N4O5H18C24 (1)
Stoich.:	A4B5C18D24 (1)
Weight, g/mol:	509.376283
ΔH_f, kcal/mol:	-52.93
Dipole, Da:	12.34
IP(EA), eV:	-8.59(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-bis[2-(dibutylphosphorylmethoxy)ethyl]butan-1-amine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=CC3=C4C=CC(=O)C=C4OC5=C3C(=C(C(=N5)N)C#N)N2

DOS

IR

Vibrations