Geometry & MOs

Info

ID:	332533
PubChem CID:	127250819
Reduced:	ClO2N5C22H28 (1)
Stoich.:	AB2C5D22E28 (1)
Weight, g/mol:	437.279075
ΔH_f, kcal/mol:	-0.45
Dipole, Da:	3.34
IP(EA), eV:	-8.63(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)CN2CCOC(C2)C3=NNC(=C3)CCOC4=CC=CC=C4Cl)C

DOS

IR

Vibrations