Geometry & MOs

Info

ID:	25419
PubChem CID:	624533
Reduced:	O2N3H15C16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	580.615832
ΔH_f, kcal/mol:	32.53
Dipole, Da:	5.03
IP(EA), eV:	-8.61(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-octadecoxypropoxy)octadecane

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=CO3

DOS

IR

Vibrations