Geometry & MOs

Info

ID:	80884
PubChem CID:	49846728
Reduced:	O2F3N4H19C20 (1)
Stoich.:	A2B3C4D19E20 (1)
Weight, g/mol:	412.141005
ΔH_f, kcal/mol:	-154.84
Dipole, Da:	4.07
IP(EA), eV:	-9.06(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-[(4-fluorophenoxy)methyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CN=C(C=C1)OCC(F)(F)F)NC(=O)[C@@H]2C[C@H]2C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations