Geometry & MOs

Info

ID:	332067
PubChem CID:	127250353
Reduced:	O2N5C21H23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	324.169859
ΔH_f, kcal/mol:	15.19
Dipole, Da:	3.73
IP(EA), eV:	-9.11(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations