Geometry & MOs

Info

ID:	71862
PubChem CID:	48415549
Reduced:	ON2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	394.164105
ΔH_f, kcal/mol:	-12.39
Dipole, Da:	5.72
IP(EA), eV:	-9.05(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CN=C(C=C3)OC

DOS

IR

Vibrations