Geometry & MOs

Info

ID:	186623
PubChem CID:	77456379
Reduced:	FON8C19H19 (1)
Stoich.:	ABC8D19E19 (1)
Weight, g/mol:	374.175419
ΔH_f, kcal/mol:	27.85
Dipole, Da:	2.57
IP(EA), eV:	-9.54(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[4-fluoro-2-(pyridin-2-ylamino)anilino]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C1=NC2=C(N1C3CCC(=O)NC3)C=C(C=C2)F)NC4=NC=NC5=C4NC=N5

DOS

IR

Vibrations