Geometry & MOs

Info

ID:	332521
PubChem CID:	127250807
Reduced:	FN4O4C19H23 (1)
Stoich.:	AB4C4D19E23 (1)
Weight, g/mol:	406.140783
ΔH_f, kcal/mol:	-162.43
Dipole, Da:	2.87
IP(EA), eV:	-9.31(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NCC(=O)N1CCOC(C1)C2=NNC(=C2)CCOC3=CC(=CC=C3)F

DOS

IR

Vibrations