Geometry & MOs

Info

ID:	442861
PubChem CID:	135256630
Reduced:	NO3C6H11 (3)
Stoich.:	AB3C6D11 (3)
Weight, g/mol:	509.208785
ΔH_f, kcal/mol:	-404.96
Dipole, Da:	6.21
IP(EA), eV:	-9.58(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(5-fluoro-2-methylpyridin-3-yl)pyridin-3-yl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)CCC(C(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCN

DOS

IR

Vibrations