Geometry & MOs

Info

ID:	47781
PubChem CID:	10535245
Reduced:	C13H18 (1)
Stoich.:	A13B18 (1)
Weight, g/mol:	175.110742
ΔH_f, kcal/mol:	5.14
Dipole, Da:	0.92
IP(EA), eV:	-9.18(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2S,3R,6S,7R)-3-deuterio-3-tricyclo[5.2.1.02,6]deca-4,8-dienyl]acetaldehyde

Drug info:

PubChemData

Smile

CCCCC(=C)C1=CC=CC=C1C

DOS

IR

Vibrations