Geometry & MOs

Info

ID:	297540
PubChem CID:	117620645
Reduced:	NSC48H51 (1)
Stoich.:	ABC48D51 (1)
Weight, g/mol:	274.040404
ΔH_f, kcal/mol:	31.63
Dipole, Da:	2.17
IP(EA), eV:	-8.06(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-1,2,2-tris(trifluoromethyl)cyclopropane

Drug info:

PubChemData

Smile

C1CCC2C(C1)C3CCCC4C3C5C2CCCC5C6C4CCC(C6)N7C8=C(C=C(C=C8)C9=CC=CC1=C9SC2=CC=CC=C12)C1=CC=CC=C17

DOS

IR

Vibrations