Geometry & MOs

Info

ID:	394946
PubChem CID:	135024213
Reduced:	NO3C19H25 (1)
Stoich.:	AB3C19D25 (1)
Weight, g/mol:	205.195626
ΔH_f, kcal/mol:	-53.86
Dipole, Da:	2.74
IP(EA), eV:	-9.44(0.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-methyl-4-[(1S)-1,2,2-trimethylcyclopentyl]cyclohexene

Drug info:

PubChemData

Smile

CC[C@@H]1[C@@H](C/C=C\C[C@@H](O1)[C@@H](C[N+]#[C-])O)OCC2=CC=CC=C2

DOS

IR

Vibrations