Geometry & MOs

Info

ID:	332503
PubChem CID:	127250789
Reduced:	ClO3N5C22H24 (1)
Stoich.:	AB3C5D22E24 (1)
Weight, g/mol:	441.156767
ΔH_f, kcal/mol:	-21.35
Dipole, Da:	6.82
IP(EA), eV:	-9.08(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1CC2=C(C1)NN=C2C(=O)N3CCOC(C3)C4=NNC(=C4)CCOC5=CC=CC=C5Cl

DOS

IR

Vibrations