Geometry & MOs

Info

ID:	262700
PubChem CID:	103309381
Reduced:	ClNOF6H6C12 (1)
Stoich.:	ABCD6E6F12 (1)
Weight, g/mol:	245.027533
ΔH_f, kcal/mol:	-325.38
Dipole, Da:	6.28
IP(EA), eV:	-9.55(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-1-(1H-pyrrol-3-yl)-2-(trifluoromethyl)propan-1-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)NC=C2C(=O)C(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations