Geometry & MOs

Info

ID:	80885
PubChem CID:	49846729
Reduced:	N2O3F4C20H20 (1)
Stoich.:	A2B3C4D20E20 (1)
Weight, g/mol:	419.145676
ΔH_f, kcal/mol:	-259.24
Dipole, Da:	4.03
IP(EA), eV:	-8.99(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=NC=C(C=C1)OCC(F)(F)F)NC(=O)[C@H]2C[C@@H]2COC3=CC=C(C=C3)F

DOS

IR

Vibrations