Geometry & MOs

Info

ID:	332581
PubChem CID:	127250867
Reduced:	FN4O4C23H29 (1)
Stoich.:	AB4C4D23E29 (1)
Weight, g/mol:	444.156433
ΔH_f, kcal/mol:	-164.65
Dipole, Da:	4.12
IP(EA), eV:	-9.11(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone

Drug info:

PubChemData

Smile

C1CCC(=O)N(CC1)CC(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC=CC=C4F

DOS

IR

Vibrations