Geometry & MOs

Info

ID:	332535
PubChem CID:	127250821
Reduced:	ClO3N5C20H22 (1)
Stoich.:	AB3C5D20E22 (1)
Weight, g/mol:	415.141117
ΔH_f, kcal/mol:	-21.9
Dipole, Da:	1.78
IP(EA), eV:	-9.11(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC=CC=C4Cl

DOS

IR

Vibrations