Geometry & MOs

Info

ID:	184101
PubChem CID:	77109180
Reduced:	FON3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	327.00187
ΔH_f, kcal/mol:	-27.72
Dipole, Da:	7.55
IP(EA), eV:	-8.3(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-amino-5-fluoro-6-methyl-5H-pyrimidin-2-ylidene)-2-bromo-6-methoxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1F)C2=CC3=C(C=C2)N(CCC3)C

DOS

IR

Vibrations