Geometry & MOs

Info

ID:	332566
PubChem CID:	127250852
Reduced:	O2F3N5C22H26 (1)
Stoich.:	A2B3C5D22E26 (1)
Weight, g/mol:	430.140783
ΔH_f, kcal/mol:	-148.07
Dipole, Da:	2.19
IP(EA), eV:	-8.69(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN2CCOC(C2)C3=NNC(=C3)CCOC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations