Geometry & MOs

Info

ID:	207384
PubChem CID:	80389681
Reduced:	O2N4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	266.057693
ΔH_f, kcal/mol:	-44.72
Dipole, Da:	3.28
IP(EA), eV:	-10.1(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-difluorophenyl)-1-(2,5-dimethylthiophen-3-yl)ethanone

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2)OC(=O)C3=CN(N=N3)CCN)C)C

DOS

IR

Vibrations