Geometry & MOs

Info

ID:	332470
PubChem CID:	127250756
Reduced:	ClO2N5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	413.161853
ΔH_f, kcal/mol:	-2.26
Dipole, Da:	1.72
IP(EA), eV:	-8.75(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(2-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=C(C=C4)Cl)C

DOS

IR

Vibrations