Geometry & MOs

Info

ID:	379985
PubChem CID:	134964429
Reduced:	OC5H7 (2)
Stoich.:	AB5C7 (2)
Weight, g/mol:	198.104465
ΔH_f, kcal/mol:	-84.0
Dipole, Da:	1.4
IP(EA), eV:	-9.93(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1C[C@@H]2CCC1C=C2

DOS

IR

Vibrations