Geometry & MOs

Info

ID:	157039
PubChem CID:	56413046
Reduced:	O3N4C25H38 (1)
Stoich.:	A3B4C25D38 (1)
Weight, g/mol:	448.204132
ΔH_f, kcal/mol:	-135.47
Dipole, Da:	3.07
IP(EA), eV:	-8.61(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)C3CCCN(C3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations