Geometry & MOs

Info

ID:	361716
PubChem CID:	127304531
Reduced:	O3N4C20H32 (1)
Stoich.:	A3B4C20D32 (1)
Weight, g/mol:	390.263091
ΔH_f, kcal/mol:	-136.62
Dipole, Da:	5.69
IP(EA), eV:	-8.86(0.34)
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-methylbutan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C(=O)C(C)NC(=O)C3CCCCC3)C

DOS

IR

Vibrations