Geometry & MOs

Info

ID:	387290
PubChem CID:	134984777
Reduced:	NO5C16H17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	297.136493
ΔH_f, kcal/mol:	-112.78
Dipole, Da:	6.13
IP(EA), eV:	-9.29(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-4-[(1R,4R)-2-nitro-2-bicyclo[2.2.1]hept-5-enyl]-1,2-dihydronaphthalene

Drug info:

PubChemData

Smile

CCO[C@@H]1C[C@H]2C3=C([C@@H](ON2O1)C)C(=O)OC4=CC=CC=C43

DOS

IR

Vibrations