Geometry & MOs

Info

ID:	367912
PubChem CID:	127326085
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-24.39
Dipole, Da:	1.43
IP(EA), eV:	-8.85(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-3-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]piperidin-2-one

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC2CN(CCO2)C3CCCN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations