Geometry & MOs

Info

ID:	331204
PubChem CID:	127248611
Reduced:	O2N5C26H31 (1)
Stoich.:	A2B5C26D31 (1)
Weight, g/mol:	439.22712
ΔH_f, kcal/mol:	20.37
Dipole, Da:	4.2
IP(EA), eV:	-8.44(-0.18)
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-3-methylphenyl)methyl]morpholine

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C(N2C=C1)CN3CCOC(C3)C4=NN(C(=C4)CCOC5=CC=CC=C5)C)C

DOS

IR

Vibrations