Geometry & MOs

Info

ID:	386062
PubChem CID:	134980672
Reduced:	OC9H13 (2)
Stoich.:	AB9C13 (2)
Weight, g/mol:	221.131477
ΔH_f, kcal/mol:	-93.93
Dipole, Da:	1.72
IP(EA), eV:	-9.35(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-deuterio-10-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-triene

Drug info:

PubChemData

Smile

CCOC(=O)CCCCC/C=C\CCC1=CC=CC=C1

DOS

IR

Vibrations