Geometry & MOs

Info

ID:	150929
PubChem CID:	53790626
Reduced:	PN6O10C35H45 (1)
Stoich.:	AB6C10D35E45 (1)
Weight, g/mol:	218.09185
ΔH_f, kcal/mol:	-470.17
Dipole, Da:	10.91
IP(EA), eV:	-8.83(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethane;2,2,2-trifluoro-1-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C=C2)CCCNC(=O)C(CC(=O)N)NC(=O)C3(CCCCC3)NC(=O)C(CC4=CC=C(C=C4)CP(=O)(O)O)NC(=O)C(=O)O

DOS

IR

Vibrations