Geometry & MOs

Info

ID:	437780
PubChem CID:	135227009
Reduced:	BrOF2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	390.156598
ΔH_f, kcal/mol:	-149.21
Dipole, Da:	4.33
IP(EA), eV:	-8.86(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-ethylsulfanyl-2-[(4-fluorophenyl)methyl]phenyl]-6-methyl-7-methylidene-1H-pyrrolo[2,3-c]pyridine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC2CCC(CC2)(F)F)Br

DOS

IR

Vibrations