Geometry & MOs

Info

ID:	376090
PubChem CID:	134222093
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	511.259483
ΔH_f, kcal/mol:	16.49
Dipole, Da:	10.92
IP(EA), eV:	-8.81(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R,4S)-3-[[4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]-methylamino]-4-fluoropiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C(=O)N2CC(C2)CN)C3=C4C=CC=NC4=C(C=C3)C#N

DOS

IR

Vibrations