Geometry & MOs

Info

ID:	416810
PubChem CID:	135090464
Reduced:	FON5C11H16 (1)
Stoich.:	ABC5D11E16 (1)
Weight, g/mol:	430.167477
ΔH_f, kcal/mol:	-36.53
Dipole, Da:	1.71
IP(EA), eV:	-8.74(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[[1-(benzenesulfonyl)piperidin-4-yl]amino]pyridin-3-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CN1CCN(CC1=O)C2=NC=C(C(=N2)N(C)C)F

DOS

IR

Vibrations