Geometry & MOs

Info

ID:	144390
PubChem CID:	53359812
Reduced:	SN6C24H28 (1)
Stoich.:	AB6C24D28 (1)
Weight, g/mol:	362.00735
ΔH_f, kcal/mol:	159.16
Dipole, Da:	8.63
IP(EA), eV:	-8.48(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromoquinolin-3-yl)-5-methyl-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octane-3,7-dione

Drug info:

PubChemData

Smile

CCCN(CCC)C1=NC(=NC2=C1SC(=C(C#N)C#N)N2C3=C(C=C(C=C3C)C)C)C

DOS

IR

Vibrations