Geometry & MOs

Info

ID:	332060
PubChem CID:	127250346
Reduced:	ClON4C20H21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	324.169859
ΔH_f, kcal/mol:	48.0
Dipole, Da:	1.87
IP(EA), eV:	-8.92(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-methylpyrazol-4-yl)methyl]-2-[5-(1H-pyrazol-5-yl)pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCOC(C2)C3=NC=C(C=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations