Geometry & MOs

Info

ID:	204353
PubChem CID:	79953085
Reduced:	O2Br3N3H8C13 (1)
Stoich.:	A2B3C3D8E13 (1)
Weight, g/mol:	192.051047
ΔH_f, kcal/mol:	22.26
Dipole, Da:	3.83
IP(EA), eV:	-8.91(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1Br)OC2=NC(=CN3C2=NC=C3)Br)Br

DOS

IR

Vibrations