Geometry & MOs

Info

ID:	331668
PubChem CID:	127249751
Reduced:	SO2N6C21H30 (1)
Stoich.:	AB2C6D21E30 (1)
Weight, g/mol:	447.207053
ΔH_f, kcal/mol:	-23.43
Dipole, Da:	3.42
IP(EA), eV:	-8.83(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[6-[(5-fluoropyridin-2-yl)amino]pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC2=CC=CC(=N2)C3CN(CCO3)C(=O)CN4CCC(CC4)C

DOS

IR

Vibrations