Geometry & MOs

Info

ID:	332563
PubChem CID:	127250849
Reduced:	O3N5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	415.177503
ΔH_f, kcal/mol:	-24.74
Dipole, Da:	2.69
IP(EA), eV:	-8.65(0.21)
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-ethylpyrazol-4-yl)methyl]morpholine

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN2CCOC(C2)C3=NNC(=C3)CCOC4=CC=CC(=C4)OC

DOS

IR

Vibrations