Geometry & MOs

Info

ID:	261601
PubChem CID:	103241777
Reduced:	NOC6H10 (2)
Stoich.:	ABC6D10 (2)
Weight, g/mol:	321.93763
ΔH_f, kcal/mol:	-105.28
Dipole, Da:	5.85
IP(EA), eV:	-9.51(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=O)N1)OCCC(C)(C)C

DOS

IR

Vibrations