Geometry & MOs

Info

ID:	323939
PubChem CID:	126676643
Reduced:	N7H23C25 (1)
Stoich.:	A7B23C25 (1)
Weight, g/mol:	478.190595
ΔH_f, kcal/mol:	139.17
Dipole, Da:	4.59
IP(EA), eV:	-8.21(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N)NC2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)NC5=CC=CC=CC5

DOS

IR

Vibrations