Geometry & MOs

Info

ID:	426677
PubChem CID:	135153289
Reduced:	O3N5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	392.08881
ΔH_f, kcal/mol:	-51.45
Dipole, Da:	10.15
IP(EA), eV:	-9.01(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3,3,4,4-tetramethyl-1-quinolin-7-ylisoquinoline

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)NC3=NN=C(C=C3)C#N

DOS

IR

Vibrations