Geometry & MOs

Info

ID:	403552
PubChem CID:	135060771
Reduced:	NO2C13H13 (2)
Stoich.:	AB2C13D13 (2)
Weight, g/mol:	260.214016
ΔH_f, kcal/mol:	-105.17
Dipole, Da:	5.52
IP(EA), eV:	-8.71(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethylidene]bicyclo[2.2.1]hept-2-ene

Drug info:

PubChemData

Smile

CCOC(=O)N1C2=CC=CC=C2[C@@H]3C1=CC(/C(=C\N4CCOC4=O)/C3)C5=CC=C(C=C5)C

DOS

IR

Vibrations