Geometry & MOs

Info

ID:	72078
PubChem CID:	48415789
Reduced:	ClO2N4C21H23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	297.147727
ΔH_f, kcal/mol:	-39.53
Dipole, Da:	2.4
IP(EA), eV:	-9.02(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CCNC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations