Geometry & MOs

Info

ID:	332194
PubChem CID:	127250480
Reduced:	O2N5C19H19 (1)
Stoich.:	A2B5C19D19 (1)
Weight, g/mol:	316.153541
ΔH_f, kcal/mol:	21.62
Dipole, Da:	2.13
IP(EA), eV:	-9.08(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-1-[2-[6-(1H-pyrazol-5-yl)pyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CC2=CC=CC=N2)C3=CC=CC(=N3)C4=CNN=C4

DOS

IR

Vibrations