Geometry & MOs

Info

ID:	332576
PubChem CID:	127250862
Reduced:	O2F3N5C20H22 (1)
Stoich.:	A2B3C5D20E22 (1)
Weight, g/mol:	447.113188
ΔH_f, kcal/mol:	-149.78
Dipole, Da:	4.18
IP(EA), eV:	-9.04(-0.76)
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-ethylthiadiazol-5-yl)methanone

Drug info:

PubChemData

Smile

C1COC(CN1CC2=NC=CN2)C3=NNC(=C3)CCOC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations