Geometry & MOs

Info

ID:	72253
PubChem CID:	48415973
Reduced:	ON2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	378.149204
ΔH_f, kcal/mol:	0.17
Dipole, Da:	3.21
IP(EA), eV:	-8.99(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CCCC3=NC=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations