Geometry & MOs

Info

ID:	331672
PubChem CID:	127249755
Reduced:	O2S2N6C19H22 (1)
Stoich.:	A2B2C6D19E22 (1)
Weight, g/mol:	410.186652
ΔH_f, kcal/mol:	15.56
Dipole, Da:	5.04
IP(EA), eV:	-8.85(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-[(5-fluoropyridin-2-yl)amino]pyridin-2-yl]morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC2=CC=CC(=N2)C3CN(CCO3)C(=O)C4=C(N=C(S4)C)C

DOS

IR

Vibrations