Geometry & MOs

Info

ID:	332522
PubChem CID:	127250808
Reduced:	ClN4O4C19H23 (1)
Stoich.:	AB4C4D19E23 (1)
Weight, g/mol:	440.16714
ΔH_f, kcal/mol:	-121.1
Dipole, Da:	1.99
IP(EA), eV:	-9.05(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NCC(=O)N1CCOC(C1)C2=NNC(=C2)CCOC3=CC=CC=C3Cl

DOS

IR

Vibrations