Geometry & MOs

Info

ID:	361859
PubChem CID:	127304830
Reduced:	N3O4C21H29 (1)
Stoich.:	A3B4C21D29 (1)
Weight, g/mol:	388.166604
ΔH_f, kcal/mol:	-151.7
Dipole, Da:	2.92
IP(EA), eV:	-8.74(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)N3CCCCC3CN4CCOCC4

DOS

IR

Vibrations