Geometry & MOs

Info

ID:	376089
PubChem CID:	134222092
Reduced:	FO4N5C26H32 (1)
Stoich.:	AB4C5D26E32 (1)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	-173.26
Dipole, Da:	7.65
IP(EA), eV:	-9.05(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[3-(aminomethyl)azetidine-1-carbonyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C(=O)N[C@@H]2CN(CC[C@@H]2F)C(=O)OC(C)(C)C)C3=C4C=CC=NC4=C(C=C3)C#N

DOS

IR

Vibrations