Geometry & MOs

Info

ID:	332592
PubChem CID:	127250878
Reduced:	FN3O3C25H28 (1)
Stoich.:	AB3C3D25E28 (1)
Weight, g/mol:	418.123025
ΔH_f, kcal/mol:	-103.4
Dipole, Da:	3.69
IP(EA), eV:	-9.05(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC=C(C=C4)F)C

DOS

IR

Vibrations