Geometry & MOs

Info

ID:	83584
PubChem CID:	49858302
Reduced:	FON2H12C14 (2)
Stoich.:	ABC2D12E14 (2)
Weight, g/mol:	468.336847
ΔH_f, kcal/mol:	-38.77
Dipole, Da:	7.27
IP(EA), eV:	-8.61(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hexadecoxypropoxy(methyl)phosphoryl]oxymethylbenzene

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C(C=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC4=CC(=C(C=C4)F)F)C(=O)N1C

DOS

IR

Vibrations