Geometry & MOs

Info

ID:	71802
PubChem CID:	48415446
Reduced:	O2N6C21H22 (1)
Stoich.:	A2B6C21D22 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	48.63
Dipole, Da:	6.91
IP(EA), eV:	-9.22(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CCC3=NC(=NO3)C4=CC=NC=C4

DOS

IR

Vibrations