Geometry & MOs

Info

ID:	332520
PubChem CID:	127250806
Reduced:	F2O3N5C22H25 (1)
Stoich.:	A2B3C5D22E25 (1)
Weight, g/mol:	390.170333
ΔH_f, kcal/mol:	-129.23
Dipole, Da:	4.74
IP(EA), eV:	-9.12(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=CN1CCC(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations