Geometry & MOs

Info

ID:	349399
PubChem CID:	127275186
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	-58.76
Dipole, Da:	3.76
IP(EA), eV:	-9.13(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(morpholine-4-carbonyl)piperidin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)CN3CCCCC3C(=O)N4CCOCC4

DOS

IR

Vibrations