Geometry & MOs

Info

ID:	332486
PubChem CID:	127250772
Reduced:	FO3N5C24H24 (1)
Stoich.:	AB3C5D24E24 (1)
Weight, g/mol:	415.177503
ΔH_f, kcal/mol:	-53.71
Dipole, Da:	5.11
IP(EA), eV:	-9.01(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholine

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CN2C=NC3=CC=CC=C32)C4=NNC(=C4)CCOC5=CC(=CC=C5)F

DOS

IR

Vibrations