Geometry & MOs

Info

ID:	371455
PubChem CID:	127346467
Reduced:	ClO2N4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	307.189592
ΔH_f, kcal/mol:	-36.63
Dipole, Da:	7.88
IP(EA), eV:	-8.79(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(oxolan-3-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C(=O)CC3=CNC4=C3C=C(C=C4)Cl)C

DOS

IR

Vibrations