Geometry & MOs

Info

ID:	331648
PubChem CID:	127249731
Reduced:	SO3N5C16H21 (1)
Stoich.:	AB3C5D16E21 (1)
Weight, g/mol:	328.169939
ΔH_f, kcal/mol:	-48.11
Dipole, Da:	3.55
IP(EA), eV:	-8.82(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(cyclopropylmethyl)morpholin-2-yl]-N-(5-fluoropyridin-2-yl)pyridin-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations