Geometry & MOs

Info

ID:	58968
PubChem CID:	24769900
Reduced:	NO7C23H33 (1)
Stoich.:	AB7C23D33 (1)
Weight, g/mol:	293.101171
ΔH_f, kcal/mol:	-280.13
Dipole, Da:	3.47
IP(EA), eV:	-8.63(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[hydroxy-(4-hydroxycyclohex-2-en-1-yl)amino]-3-nitrobenzamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](OC1=O)[C@@H]2CC[C@@H]3N2CCC[C@@H]([C@@H]3[C@H](C)C(=O)C4=C(C(=C(O4)O)C)OC)O

DOS

IR

Vibrations