Geometry & MOs

Info

ID:	121376
PubChem CID:	50765582
Reduced:	ON3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	345.147727
ΔH_f, kcal/mol:	-5.73
Dipole, Da:	4.54
IP(EA), eV:	-8.68(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CC=C(C=C1)CCC2=NC3=CC=CC=C3N2CC

DOS

IR

Vibrations