Geometry & MOs

Info

ID:	332525
PubChem CID:	127250811
Reduced:	ClO2N4C25H25 (1)
Stoich.:	AB2C4D25E25 (1)
Weight, g/mol:	385.191403
ΔH_f, kcal/mol:	22.85
Dipole, Da:	4.09
IP(EA), eV:	-8.84(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CC=NC3=CC=CC=C23)C4=NNC(=C4)CCOC5=CC=C(C=C5)Cl

DOS

IR

Vibrations