Geometry & MOs

Info

ID:	43611
PubChem CID:	10321542
Reduced:	ON2C31H34 (1)
Stoich.:	AB2C31D34 (1)
Weight, g/mol:	450.368465
ΔH_f, kcal/mol:	41.31
Dipole, Da:	1.03
IP(EA), eV:	-8.63(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hexyloctadecyl 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CN=C2C3C[C@H]4CCC[C@@H](C3)N4C2C(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations