Geometry & MOs

Info

ID:	72252
PubChem CID:	48415972
Reduced:	O3N5C23H23 (1)
Stoich.:	A3B5C23D23 (1)
Weight, g/mol:	402.205576
ΔH_f, kcal/mol:	-50.25
Dipole, Da:	7.63
IP(EA), eV:	-8.93(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CNC(=O)C3=CNC4=CC=CC=C4C3=O

DOS

IR

Vibrations