Geometry & MOs

Info

ID:	332524
PubChem CID:	127250810
Reduced:	F3N4O4C20H23 (1)
Stoich.:	A3B4C4D20E23 (1)
Weight, g/mol:	448.166604
ΔH_f, kcal/mol:	-278.69
Dipole, Da:	3.36
IP(EA), eV:	-9.45(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine

Drug info:

PubChemData

Smile

CC(=O)NCC(=O)N1CCOC(C1)C2=NNC(=C2)CCOC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations