Geometry & MOs

Info

ID:	332588
PubChem CID:	127250874
Reduced:	O3N4C26H30 (1)
Stoich.:	A3B4C26D30 (1)
Weight, g/mol:	443.208803
ΔH_f, kcal/mol:	-15.09
Dipole, Da:	3.96
IP(EA), eV:	-8.2(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CN3CCOC(C3)C4=NNC(=C4)CCOC5=CC=C(C=C5)OC

DOS

IR

Vibrations