Geometry & MOs

Info

ID:	361727
PubChem CID:	127304542
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	390.263091
ΔH_f, kcal/mol:	-23.77
Dipole, Da:	4.42
IP(EA), eV:	-8.47(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine-4-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C(=O)CN3C(=CC4=CC=CC=C43)C)C

DOS

IR

Vibrations