Geometry & MOs

Info

ID:	332469
PubChem CID:	127250755
Reduced:	FO2N5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	413.161853
ΔH_f, kcal/mol:	-42.57
Dipole, Da:	1.13
IP(EA), eV:	-8.62(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC(=CC=C4)F)C

DOS

IR

Vibrations