Geometry & MOs

Info

ID:	332510
PubChem CID:	127250796
Reduced:	ClO3N5C21H24 (1)
Stoich.:	AB3C5D21E24 (1)
Weight, g/mol:	432.102289
ΔH_f, kcal/mol:	-30.35
Dipole, Da:	2.45
IP(EA), eV:	-9.03(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CCN2C=CC=N2)C3=NNC(=C3)CCOC4=CC=CC=C4Cl

DOS

IR

Vibrations