Geometry & MOs

Info

ID:	318195
PubChem CID:	126649513
Reduced:	BrN4C5H7 (1)
Stoich.:	AB4C5D7 (1)
Weight, g/mol:	474.191657
ΔH_f, kcal/mol:	26.5
Dipole, Da:	0.99
IP(EA), eV:	-8.58(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[6-[(2-amino-3-hydroxy-6-methylpyrimidin-4-ylidene)amino]-1H-benzimidazol-2-yl]phenyl]quinolin-4-amine

Drug info:

PubChemData

Smile

C1=C(C(=C(N=C1N)N)N)Br

DOS

IR

Vibrations