Geometry & MOs

Info

ID:	332193
PubChem CID:	127250479
Reduced:	O3N4H22C23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	349.153875
ΔH_f, kcal/mol:	-39.69
Dipole, Da:	4.21
IP(EA), eV:	-9.25(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(1H-pyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]-2-pyridin-2-ylethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations