Geometry & MOs

Info

ID:	186430
PubChem CID:	77432099
Reduced:	FON2C12H13 (2)
Stoich.:	ABC2D12E13 (2)
Weight, g/mol:	399.1983
ΔH_f, kcal/mol:	-121.49
Dipole, Da:	8.65
IP(EA), eV:	-8.88(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[[4-fluoro-2-(3-fluoropyridin-2-yl)-2-methylpentyl]amino]pyrimidin-5-yl]-5-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C2=CC=C(C=C2)CC(=O)O)NCC(C)(CC(C)F)C3=C(C=CC=N3)F

DOS

IR

Vibrations