Geometry & MOs

Info

ID:	179180
PubChem CID:	76446705
Reduced:	O3N4C25H34 (1)
Stoich.:	A3B4C25D34 (1)
Weight, g/mol:	281.941741
ΔH_f, kcal/mol:	-81.18
Dipole, Da:	5.25
IP(EA), eV:	-9.18(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trichloro-4-(4-fluorophenyl)-4-hydroxybut-3-en-2-one

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)N2C3=C(C(=O)CC(C3)(C)C)C(=N2)C4CCCN4C(=O)CCC#C

DOS

IR

Vibrations