Geometry & MOs

Info

ID:	331198
PubChem CID:	127248605
Reduced:	FO3N5C23H30 (1)
Stoich.:	AB3C5D23E30 (1)
Weight, g/mol:	439.22712
ΔH_f, kcal/mol:	-68.51
Dipole, Da:	3.77
IP(EA), eV:	-8.48(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(4-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations