Geometry & MOs

Info

ID:	43680
PubChem CID:	10321639
Reduced:	N2H28C33 (1)
Stoich.:	A2B28C33 (1)
Weight, g/mol:	452.268845
ΔH_f, kcal/mol:	216.26
Dipole, Da:	3.49
IP(EA), eV:	-9.33(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-2-[2-[6-(butan-2-ylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-amine

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H]3[C@@H]([C@H]1[C@H]4[C@@H]2C(N=N4)(C5=CC=CC=C5)C6=CC=CC=C6)C3(C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations