Geometry & MOs

Info

ID:	297974
PubChem CID:	117644384
Reduced:	FON9C23H24 (1)
Stoich.:	ABC9D23E24 (1)
Weight, g/mol:	461.208785
ΔH_f, kcal/mol:	60.32
Dipole, Da:	3.22
IP(EA), eV:	-8.8(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1-amino-3-phenylpropan-2-yl)amino]-5-fluoro-2-[[6-methyl-5-(triazol-2-yl)pyridin-3-yl]amino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)NC2=NC(=C(C=C2C(=O)N)F)N[C@H](CC3=CC=CC=C3)CN)N4N=CC=N4

DOS

IR

Vibrations