Geometry & MOs

Info

ID:	331200
PubChem CID:	127248607
Reduced:	FN3O3C25H30 (1)
Stoich.:	AB3C3D25E30 (1)
Weight, g/mol:	437.24269
ΔH_f, kcal/mol:	-94.88
Dipole, Da:	3.69
IP(EA), eV:	-8.39(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-ethylpyrimidin-5-yl)methyl]-2-[5-[2-(3-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CN2CCOC(C2)C3=NN(C(=C3)CCOC4=CC(=CC=C4)F)C)OC

DOS

IR

Vibrations