Geometry & MOs

Info

ID:	154851
PubChem CID:	56314393
Reduced:	N2F3O3C23H25 (1)
Stoich.:	A2B3C3D23E25 (1)
Weight, g/mol:	484.172225
ΔH_f, kcal/mol:	-247.86
Dipole, Da:	3.82
IP(EA), eV:	-8.54(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(benzimidazol-1-yl)pyridin-3-yl]methyl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)CNC(=O)CCC3=CC(=C(C=C3)OCC(F)(F)F)OC)C

DOS

IR

Vibrations