Geometry & MOs

Info

ID:	331154
PubChem CID:	127248561
Reduced:	F3N3O4C21H26 (1)
Stoich.:	A3B3C4D21E26 (1)
Weight, g/mol:	402.226705
ΔH_f, kcal/mol:	-272.53
Dipole, Da:	4.09
IP(EA), eV:	-9.12(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[5-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)C(=O)CCOC)CCOC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations