Geometry & MOs

Info

ID:	170252
PubChem CID:	75212884
Reduced:	N3O4C28H51 (1)
Stoich.:	A3B4C28D51 (1)
Weight, g/mol:	440.231122
ΔH_f, kcal/mol:	-199.8
Dipole, Da:	2.96
IP(EA), eV:	-9.85(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ditert-butyl 9-formyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-4,7-dicarboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC=CC(C(COC(=O)C(C)(C)C)N=[N+]=[N-])OC(=O)C(C)(C)C

DOS

IR

Vibrations