Geometry & MOs

Info

ID:	331160
PubChem CID:	127248567
Reduced:	ClO4N5C20H22 (1)
Stoich.:	AB4C5D20E22 (1)
Weight, g/mol:	446.211804
ΔH_f, kcal/mol:	-16.17
Dipole, Da:	5.94
IP(EA), eV:	-9.11(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(quinolin-8-ylmethyl)morpholine

Drug info:

PubChemData

Smile

CC1=NON=C1C(=O)N2CCOC(C2)C3=NN(C(=C3)CCOC4=CC=CC=C4Cl)C

DOS

IR

Vibrations