Geometry & MOs

Info

ID:	332476
PubChem CID:	127250762
Reduced:	FO3N5C21H22 (1)
Stoich.:	AB3C5D21E22 (1)
Weight, g/mol:	413.161853
ΔH_f, kcal/mol:	-58.6
Dipole, Da:	2.42
IP(EA), eV:	-9.2(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(2,6-dimethylpyrimidin-4-yl)morpholine

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC=CC=C4F

DOS

IR

Vibrations