Geometry & MOs

Info

ID:	442895
PubChem CID:	135256790
Reduced:	FON4H11C14 (2)
Stoich.:	ABC4D11E14 (2)
Weight, g/mol:	463.175673
ΔH_f, kcal/mol:	-28.45
Dipole, Da:	7.81
IP(EA), eV:	-9.56(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-methyl-6-(1,2-oxazol-3-ylamino)pyrimidin-2-yl]-N-[(6-phenylpyridin-3-yl)methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CC(=C(N=C2)C(=O)NCC3=CN=C(C=C3)C4=C(N=CC(=C4)F)C)F)NC5=CC(=O)NC=C5

DOS

IR

Vibrations