Geometry & MOs

Info

ID:	184106
PubChem CID:	77109845
Reduced:	ClNO2C14H16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	295.088768
ΔH_f, kcal/mol:	-63.21
Dipole, Da:	3.71
IP(EA), eV:	-9.72(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[5-fluoro-4-methyl-6-(propylamino)-5H-pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1C(CC1O)CNC(=O)C=CC2=CC(=CC=C2)Cl

DOS

IR

Vibrations