Geometry & MOs

Info

ID:	144268
PubChem CID:	53340596
Reduced:	FON5C20H20 (1)
Stoich.:	ABC5D20E20 (1)
Weight, g/mol:	493.48588
ΔH_f, kcal/mol:	-8.75
Dipole, Da:	4.11
IP(EA), eV:	-9.09(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-decoxy-N,N-dimethyl-2-[(9Z,12Z)-octadeca-9,12-dienoxy]ethanamine

Drug info:

PubChemData

Smile

CC1=CN=C(N1)C2C(NC3CCCC4=C3C2=NNC4=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations