Geometry & MOs

Info

ID:	183091
PubChem CID:	76977436
Reduced:	BrNO2C14H16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	244.101191
ΔH_f, kcal/mol:	-30.46
Dipole, Da:	4.18
IP(EA), eV:	-9.52(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)-6-methyl-5-propan-2-ylidenepyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2=C(C=CC(C2=N1)OC)Br)C(C)C

DOS

IR

Vibrations