Geometry & MOs

Info

ID:	125436
PubChem CID:	50924138
Reduced:	ClOSN4H17C20 (1)
Stoich.:	ABCD4E17F20 (1)
Weight, g/mol:	333.170194
ΔH_f, kcal/mol:	40.97
Dipole, Da:	3.33
IP(EA), eV:	-8.39(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(2-aminoethyl)-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)CCNC(=O)C2=C(C=CS2)NC3=C4C=CNC4=NC=C3

DOS

IR

Vibrations