Geometry & MOs

Info

ID:	332425
PubChem CID:	127250711
Reduced:	O3N5C24H29 (1)
Stoich.:	A3B5C24D29 (1)
Weight, g/mol:	347.200905
ΔH_f, kcal/mol:	-27.82
Dipole, Da:	4.02
IP(EA), eV:	-7.89(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC(=CC=C2)C3CN(CCO3)C(=O)CCN(C)C4=CC=C(C=C4)OC

DOS

IR

Vibrations