Geometry & MOs

Info

ID:	72217
PubChem CID:	48415936
Reduced:	O2N5C23H25 (1)
Stoich.:	A2B5C23D25 (1)
Weight, g/mol:	333.147727
ΔH_f, kcal/mol:	0.7
Dipole, Da:	2.07
IP(EA), eV:	-8.97(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CCCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations