Geometry & MOs

Info

ID:	258432
PubChem CID:	103153941
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	265.15904
ΔH_f, kcal/mol:	-76.76
Dipole, Da:	3.74
IP(EA), eV:	-8.33(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methoxypropan-1-amine

Drug info:

PubChemData

Smile

COC(CC1=NC2=CC3=C(C=C2N1)OCCO3)CN

DOS

IR

Vibrations