Geometry & MOs

Info

ID:	370725
PubChem CID:	127340003
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	28.06
Dipole, Da:	4.39
IP(EA), eV:	-9.55(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-morpholin-4-ylphenyl)-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)C2=CC=CC=C2C(=O)N3CCC(CC3)C4=CC=NN4

DOS

IR

Vibrations