Geometry & MOs

Info

ID:	332449
PubChem CID:	127250735
Reduced:	ClN3O3C18H22 (1)
Stoich.:	AB3C3D18E22 (1)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	-82.19
Dipole, Da:	5.01
IP(EA), eV:	-9.28(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCOC(C1)C2=NNC(=C2)CCOC3=CC(=CC=C3)Cl

DOS

IR

Vibrations