Geometry & MOs

Info

ID:	72139
PubChem CID:	48415852
Reduced:	ON5C16H17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	337.142641
ΔH_f, kcal/mol:	47.15
Dipole, Da:	5.16
IP(EA), eV:	-9.14(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations