Geometry & MOs

Info

ID:	441464
PubChem CID:	135235062
Reduced:	NPF4O4H34C37 (1)
Stoich.:	ABC4D4E34F37 (1)
Weight, g/mol:	312.13127
ΔH_f, kcal/mol:	-267.7
Dipole, Da:	2.78
IP(EA), eV:	-9.33(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethylpentyl)-3,5-bis(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)C2=C(C=C(C=C2)OC(=O)CCCCCCCCCCC(=O)OC3=CC(=C(C=C3)C4=CC(=C(C(=C4)P)F)F)F)F

DOS

IR

Vibrations