Geometry & MOs

Info

ID:	332542
PubChem CID:	127250828
Reduced:	ClO2N5C22H28 (1)
Stoich.:	AB2C5D22E28 (1)
Weight, g/mol:	429.193153
ΔH_f, kcal/mol:	2.11
Dipole, Da:	4.04
IP(EA), eV:	-8.54(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)CN2CCOC(C2)C3=NNC(=C3)CCOC4=CC=CC=C4Cl

DOS

IR

Vibrations