Geometry & MOs

Info

ID:	305020
PubChem CID:	124766434
Reduced:	NO5C18H19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	309.136493
ΔH_f, kcal/mol:	-155.15
Dipole, Da:	5.87
IP(EA), eV:	-9.74(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,6R,7S,8S,10R)-4-(4-ethoxyphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione

Drug info:

PubChemData

Smile

C1[C@@H]2C=C[C@@H]1[C@H]([C@@H]2C(=O)N(CCC(=O)O)C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations