Geometry & MOs

Info

ID:	322467
PubChem CID:	126670220
Reduced:	F3O3N4C17H21 (1)
Stoich.:	A3B3C4D17E21 (1)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	-223.11
Dipole, Da:	3.0
IP(EA), eV:	-8.56(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-N-[6-[4-cyano-3-(cyclopropylmethoxy)phenoxy]pyridin-3-yl]pentanamide

Drug info:

PubChemData

Smile

CC[C@H](C(=O)N/C(=C/N=C(N=C)OC1=CC(=C(C=C1)C)OC(F)(F)F)/C)N

DOS

IR

Vibrations