Geometry & MOs

Info

ID:	306395
PubChem CID:	125011584
Reduced:	O3N5C15H19 (1)
Stoich.:	A3B5C15D19 (1)
Weight, g/mol:	446.211804
ΔH_f, kcal/mol:	-91.29
Dipole, Da:	3.64
IP(EA), eV:	-8.72(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)[C@@H]2CCCN2C(=O)CN3C(=O)CNC3=O

DOS

IR

Vibrations