Geometry & MOs

Info

ID:	323935
PubChem CID:	126676639
Reduced:	OSN6C22H28 (1)
Stoich.:	ABC6D22E28 (1)
Weight, g/mol:	407.185844
ΔH_f, kcal/mol:	69.08
Dipole, Da:	6.0
IP(EA), eV:	-8.4(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-6-N-[2-[4-(pyridin-4-ylamino)phenyl]-3H-benzimidazol-5-yl]pyridine-2,6-diamine

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)C2=NN(C3=NC=NC(=C23)N)C4CCCN(C4)S(=O)C=C

DOS

IR

Vibrations