Geometry & MOs

Info

ID:	392575
PubChem CID:	135017267
Reduced:	NO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	250.229666
ΔH_f, kcal/mol:	-96.64
Dipole, Da:	3.48
IP(EA), eV:	-9.83(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,3S)-1-methyl-3-propan-2-yl-2-prop-2-enylcyclopentyl]pent-4-en-2-ol

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]([C@@H]1CCC[C@H]1[N+](=O)[O-])C2=CC=CC=C2

DOS

IR

Vibrations