Geometry & MOs

Info

ID:	367914
PubChem CID:	127326087
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	386.211804
ΔH_f, kcal/mol:	-19.68
Dipole, Da:	2.4
IP(EA), eV:	-8.92(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-1-(3-fluorophenyl)piperidin-2-one

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C3CCCN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations