Geometry & MOs

Info

ID:	135812
PubChem CID:	51939657
Reduced:	OF2N3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	317.133969
ΔH_f, kcal/mol:	-70.8
Dipole, Da:	4.28
IP(EA), eV:	-8.55(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-methoxyaniline

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=CC=CC=C2N1C(F)F)NC3=CC=CC=C3OC

DOS

IR

Vibrations