Geometry & MOs

Info

ID:	48156
PubChem CID:	10537549
Reduced:	O2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	232.128342
ΔH_f, kcal/mol:	-72.22
Dipole, Da:	2.67
IP(EA), eV:	-9.88(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6R)-6-methyl-5-(3-trimethylsilylprop-2-ynyl)cyclohexa-1,3-diene-1-carbaldehyde

Drug info:

PubChemData

Smile

C[C@@H]1CC(=O)C2=C1C(=O)C(C[C@@H]3[C@]2(C3)C)(C)C

DOS

IR

Vibrations