Geometry & MOs

Info

ID:	387953
PubChem CID:	134987511
Reduced:	NO5C12H21 (1)
Stoich.:	AB5C12D21 (1)
Weight, g/mol:	178.135765
ΔH_f, kcal/mol:	-245.24
Dipole, Da:	4.23
IP(EA), eV:	-9.99(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-2-[(E)-2-methoxyethenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-ene

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)[C@@H](C=O)NC(=O)OC(C)(C)C)C

DOS

IR

Vibrations