Geometry & MOs

Info

ID:	128036
PubChem CID:	51028167
Reduced:	OC11H16 (1)
Stoich.:	AB11C16 (1)
Weight, g/mol:	164.120115
ΔH_f, kcal/mol:	-18.84
Dipole, Da:	3.39
IP(EA), eV:	-9.8(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3R,4R)-3-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)[C@H]1[C@@H]2C[C@H]([C@H]1C=O)C=C2

DOS

IR

Vibrations