Geometry & MOs

Info

ID:	159310
PubChem CID:	57269552
Reduced:	N5O5C15H21 (1)
Stoich.:	A5B5C15D21 (1)
Weight, g/mol:	331.214744
ΔH_f, kcal/mol:	-162.42
Dipole, Da:	6.27
IP(EA), eV:	-9.81(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,4,5,5a,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-8-carboxylate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@@H]2C(C[C@@H](O2)COC(=O)C(C)(C)C)N=[N+]=[N-]

DOS

IR

Vibrations