Geometry & MOs

Info

ID:	380648
PubChem CID:	134971164
Reduced:	NO5C11H19 (1)
Stoich.:	AB5C11D19 (1)
Weight, g/mol:	319.141973
ΔH_f, kcal/mol:	-208.6
Dipole, Da:	5.39
IP(EA), eV:	-10.24(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-2-(cyclohexen-1-yl)-2-nitroethenyl]-1,2,3-trimethoxybenzene

Drug info:

PubChemData

Smile

COCO[C@@H]1CC1CCC2[C@H](OC(=O)N2)CO

DOS

IR

Vibrations