Geometry & MOs

Info

ID:	402322
PubChem CID:	135055511
Reduced:	ON2F3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	258.117528
ΔH_f, kcal/mol:	-130.62
Dipole, Da:	5.71
IP(EA), eV:	-8.2(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-1,2,6,7-tetramethylcyclohepta-1,3,5-triene

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N=C2C[C@H]3CCCN3C(=C2)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations