Geometry & MOs

Info

ID:	332495
PubChem CID:	127250781
Reduced:	ClO2N5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	432.196154
ΔH_f, kcal/mol:	4.7
Dipole, Da:	2.36
IP(EA), eV:	-8.63(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations