Geometry & MOs

Info

ID:	176289
PubChem CID:	76026413
Reduced:	N5O5C29H41 (1)
Stoich.:	A5B5C29D41 (1)
Weight, g/mol:	249.97418
ΔH_f, kcal/mol:	-190.65
Dipole, Da:	4.04
IP(EA), eV:	-8.67(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromophenyl)-5H-pyrimidin-2-one

Drug info:

PubChemData

Smile

CCOC1=NC(=C2C(=C1)C=C(O2)C3=C(N=C(N=C3NC4CC(C(C4O)O)C(C)(C)O)N(C)C5CCCC5)C)C

DOS

IR

Vibrations