Geometry & MOs

Info

ID:	331182
PubChem CID:	127248589
Reduced:	FN2O2C11H12 (2)
Stoich.:	AB2C2D11E12 (2)
Weight, g/mol:	422.176562
ΔH_f, kcal/mol:	-167.44
Dipole, Da:	2.88
IP(EA), eV:	-9.26(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-[5-[2-(3,4-difluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C)C(=O)N2CCOC(C2)C3=NN(C(=C3)CCOC4=CC(=C(C=C4)F)F)C

DOS

IR

Vibrations