Geometry & MOs

Info

ID:	128610
PubChem CID:	51051980
Reduced:	ClN2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	362.174276
ΔH_f, kcal/mol:	-11.27
Dipole, Da:	8.59
IP(EA), eV:	-9.44(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-indol-3-yl)-N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]butanamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CNCCCN2C=CN=C2.Cl.Cl

DOS

IR

Vibrations