Geometry & MOs

Info

ID:	372138
PubChem CID:	131293648
Reduced:	BrClOSF2H6C10 (1)
Stoich.:	ABCDE2F6G10 (1)
Weight, g/mol:	209.152812
ΔH_f, kcal/mol:	-114.02
Dipole, Da:	0.62
IP(EA), eV:	-8.78(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-2-(2,2-dimethylpropyl)-6-methyl-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1CBr)C(=CS2)OC(F)F)Cl

DOS

IR

Vibrations