Geometry & MOs

Info

ID:	382981
PubChem CID:	134974442
Reduced:	N2O4C20H23 (1)
Stoich.:	A2B4C20D23 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-98.37
Dipole, Da:	3.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.009446
Charge, e:	0

Chem-info

IUPAC name:

ethyl (7aS,11aS)-5-methyl-9-oxo-1,2,3,5,6,7,7a,8-octahydropyrrolo[2,1-j]quinoline-7-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C(COC1=CC=C(C=C1)C2=CN=C(O2)C3=C[N+](=CC=C3)C)O)O

DOS

IR

Vibrations