Geometry & MOs

Info

ID:	331185
PubChem CID:	127248592
Reduced:	FO2N3C26H30 (1)
Stoich.:	AB2C3D26E30 (1)
Weight, g/mol:	417.197631
ΔH_f, kcal/mol:	-36.7
Dipole, Da:	2.85
IP(EA), eV:	-8.7(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(3,4-difluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=CC=C1)/CN2CCOC(C2)C3=NN(C(=C3)CCOC4=CC=C(C=C4)F)C

DOS

IR

Vibrations