Geometry & MOs

Info

ID:	333679
PubChem CID:	127252231
Reduced:	SN3O3C24H25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	425.150619
ΔH_f, kcal/mol:	-57.42
Dipole, Da:	2.88
IP(EA), eV:	-9.25(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-2-phenylethanone

Drug info:

PubChemData

Smile

C1CN(CC1C2=C(SC3=C2C=CC=N3)C(=O)N4CCOCC4)C(=O)CC5=CC=CC=C5

DOS

IR

Vibrations