Geometry & MOs

Info

ID:	326115
PubChem CID:	126686533
Reduced:	P2C4F4O6H9 (1)
Stoich.:	A2B4C4D6E9 (1)
Weight, g/mol:	299.09971
ΔH_f, kcal/mol:	-597.32
Dipole, Da:	3.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759861
Charge, e:	0

Chem-info

IUPAC name:

1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine;hydrobromide

Drug info:

PubChemData

Smile

COP(=O)(C(C=O)(O)O)OC.F[P+](F)(F)F

DOS

IR

Vibrations