Geometry & MOs

Info

ID:	332441
PubChem CID:	127250727
Reduced:	ClN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	361.216555
ΔH_f, kcal/mol:	-45.77
Dipole, Da:	1.32
IP(EA), eV:	-8.72(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN2CCOC(C2)C3=NNC(=C3)CCOC4=CC(=CC=C4)Cl

DOS

IR

Vibrations