Geometry & MOs

Info

ID:	54615
PubChem CID:	17388990
Reduced:	SN6O6H8C14 (1)
Stoich.:	AB6C6D8E14 (1)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	55.61
Dipole, Da:	4.87
IP(EA), eV:	-9.94(-2.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2,4'-dimethylspiro[3,8a-dihydro-1H-isoquinoline-8,1'-cyclohexane]-5,5,7-tricarbonitrile;ethanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations