Geometry & MOs

Info

ID:	404169
PubChem CID:	135065251
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	339.11384
ΔH_f, kcal/mol:	46.18
Dipole, Da:	1.91
IP(EA), eV:	-8.29(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-chlorophenyl)-5-phenylpyrazol-3-yl]morpholine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2C3(N2)C4CC5CC(C4)CC3C5

DOS

IR

Vibrations