Geometry & MOs

Info

ID:	324001
PubChem CID:	126676745
Reduced:	BrFON2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	351.148396
ΔH_f, kcal/mol:	-28.84
Dipole, Da:	3.5
IP(EA), eV:	-8.51(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]quinolin-4-amine

Drug info:

PubChemData

Smile

CNC(=C)C1=CC(=CN(C1=O)CC2=CC(=CC=C2)F)Br

DOS

IR

Vibrations