Geometry & MOs

Info

ID:	376241
PubChem CID:	134222251
Reduced:	FO4N5C25H30 (1)
Stoich.:	AB4C5D25E30 (1)
Weight, g/mol:	465.237604
ΔH_f, kcal/mol:	-164.84
Dipole, Da:	6.74
IP(EA), eV:	-9.31(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[1-[4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]azetidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H]1CN(CC(O1)C(=O)NC2CN(C[C@@H]2F)C(=O)OC(C)(C)C)C3=C4C=CC=NC4=C(C=C3)C#N

DOS

IR

Vibrations