Geometry & MOs

Info

ID:	185030
PubChem CID:	77242106
Reduced:	ClFO3N5C29H29 (1)
Stoich.:	ABC3D5E29F29 (1)
Weight, g/mol:	449.162996
ΔH_f, kcal/mol:	-106.33
Dipole, Da:	6.39
IP(EA), eV:	-8.89(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-chloro-6-(oxan-4-ylmethylamino)pyridin-2-yl]-5-fluoropyridin-2-yl]morpholine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CC(=O)N1CC2CC1CN2C(=O)C3=CC4=C(N3)C=C(C=C4)F)CNC(=O)C5=CC6=C(N5)C=C(C=C6)Cl

DOS

IR

Vibrations