Geometry & MOs

Info

ID:	317235
PubChem CID:	126634626
Reduced:	N4O5C32H34 (1)
Stoich.:	A4B5C32D34 (1)
Weight, g/mol:	450.292107
ΔH_f, kcal/mol:	-50.64
Dipole, Da:	2.59
IP(EA), eV:	-8.38(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-ethyl-1,1-difluoro-5,9-dimethyl-2-propyldodecoxy)-1,2,3-trifluorobenzene

Drug info:

PubChemData

Smile

C1CCCN(CC1)CCCN(C2=CC=C(C=C2)/C=C\3/C(=O)N(C4=CC=CC=C4O3)CC5=CC6=C(C=C5)OCO6)N=O

DOS

IR

Vibrations