Geometry & MOs

Info

ID:	80883
PubChem CID:	49846727
Reduced:	O2N3F6H15C18 (1)
Stoich.:	A2B3C6D15E18 (1)
Weight, g/mol:	404.14601
ΔH_f, kcal/mol:	-308.42
Dipole, Da:	2.86
IP(EA), eV:	-9.76(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-(1H-benzimidazol-2-yl)-N-[(1R)-1-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]ethyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CN=C(C=N1)OCC(F)(F)F)NC(=O)[C@@H]2C[C@H]2C3=C(C=C(C=C3F)F)F

DOS

IR

Vibrations