Geometry & MOs

Info

ID:	332564
PubChem CID:	127250850
Reduced:	ClO2N5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	423.263425
ΔH_f, kcal/mol:	6.28
Dipole, Da:	2.34
IP(EA), eV:	-8.69(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethylpyrazol-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=C4)Cl

DOS

IR

Vibrations