Geometry & MOs

Info

ID:	448691
PubChem CID:	135292811
Reduced:	N3O7C25H27 (1)
Stoich.:	A3B7C25D27 (1)
Weight, g/mol:	694.695145
ΔH_f, kcal/mol:	-248.74
Dipole, Da:	7.15
IP(EA), eV:	-9.05(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxy-1-N-(2-tetradecylhexadecyl)prop-1-ene-1,2-diamine

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2(O)O)C(=CC=C3)OCC4=CC=C(C=C4)CN5CCOCC5

DOS

IR

Vibrations