Geometry & MOs

Info

ID:	390999
PubChem CID:	135002106
Reduced:	NO7C17H21 (1)
Stoich.:	AB7C17D21 (1)
Weight, g/mol:	226.146999
ΔH_f, kcal/mol:	-218.92
Dipole, Da:	5.91
IP(EA), eV:	-10.25(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,4,4a,5,6,12b-octahydrobenzimidazolo[2,1-a]isoquinoline

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1C[C@](O[C@@H]1C2=CC=C(C=C2)[N+](=O)[O-])(C)C(=O)OCC

DOS

IR

Vibrations