Geometry & MOs

Info

ID:	331168
PubChem CID:	127248575
Reduced:	F2O2N5C22H27 (1)
Stoich.:	A2B2C5D22E27 (1)
Weight, g/mol:	446.211804
ΔH_f, kcal/mol:	-76.98
Dipole, Da:	2.99
IP(EA), eV:	-8.61(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C=C1CN2CCOC(C2)C3=NN(C(=C3)CCOC4=CC(=C(C=C4)F)F)C)C

DOS

IR

Vibrations