Geometry & MOs

Info

ID:	316236
PubChem CID:	126630429
Reduced:	NO4C22H27 (1)
Stoich.:	AB4C22D27 (1)
Weight, g/mol:	230.13068
ΔH_f, kcal/mol:	-153.67
Dipole, Da:	2.23
IP(EA), eV:	-9.37(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bicyclo[2.2.1]hept-5-enyl(3-oxatricyclo[3.2.1.02,4]octan-6-yl)methanone

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCC(CC1)O)/C=C/C2=CC3=C(C=C2)C=CC(=N3)[C@@H](C)O

DOS

IR

Vibrations