Geometry & MOs

Info

ID:	397081
PubChem CID:	135029701
Reduced:	NSO3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	304.182715
ΔH_f, kcal/mol:	-124.71
Dipole, Da:	6.97
IP(EA), eV:	-9.74(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5,5-dimethyl-2-[(E)-2-phenylethenyl]cyclopenten-1-yl]-4-methoxybenzene

Drug info:

PubChemData

Smile

CC1=C[C@]2(CCOS(=O)(=O)N2)CC(C1)C(=C)C

DOS

IR

Vibrations