Geometry & MOs

Info

ID:	71800
PubChem CID:	48415438
Reduced:	ClON3C21H24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	406.180504
ΔH_f, kcal/mol:	-10.73
Dipole, Da:	3.29
IP(EA), eV:	-8.98(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CCC(=O)N(C)CCCC2=NC3=CC=CC=C3N2)Cl

DOS

IR

Vibrations