Geometry & MOs

Info

ID:	331146
PubChem CID:	127248553
Reduced:	N3O3C24H35 (1)
Stoich.:	A3B3C24D35 (1)
Weight, g/mol:	445.21322
ΔH_f, kcal/mol:	-74.29
Dipole, Da:	2.8
IP(EA), eV:	-8.41(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-3-cyclopentylpropan-1-one

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)CC3CCCCC3)CCOC4=CC=CC=C4OC

DOS

IR

Vibrations