Geometry & MOs

Info

ID:	376233
PubChem CID:	134222243
Reduced:	ON2C13H14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	397.191403
ΔH_f, kcal/mol:	11.47
Dipole, Da:	1.63
IP(EA), eV:	-8.77(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(3S,4R)-4-fluoro-5-methylpyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=CC3=C2C=CC=N3

DOS

IR

Vibrations