Geometry & MOs

Info

ID:	332434
PubChem CID:	127250720
Reduced:	ClO2N3C22H24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	383.182062
ΔH_f, kcal/mol:	-3.47
Dipole, Da:	2.48
IP(EA), eV:	-8.58(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-propan-2-yl-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CC=CC=C2Cl)C3=NNC(=C3)CCOC4=CC=CC=C4

DOS

IR

Vibrations