Geometry & MOs

Info

ID:	328746
PubChem CID:	126727230
Reduced:	O2N4C27H34 (1)
Stoich.:	A2B4C27D34 (1)
Weight, g/mol:	251.96228
ΔH_f, kcal/mol:	-24.37
Dipole, Da:	3.09
IP(EA), eV:	-8.74(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-4-iodo-3-methylbutane

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C3CC3C(=O)O)NC4=NC5=CC=CC=C5N4

DOS

IR

Vibrations