Geometry & MOs

Info

ID:	170676
PubChem CID:	75266785
Reduced:	BrN2O3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	286.077599
ΔH_f, kcal/mol:	-39.82
Dipole, Da:	2.53
IP(EA), eV:	-9.21(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyphenyl)-5,6-dimethyl-4aH-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)CNC(=O)C=CC2=CC=C(O2)Br

DOS

IR

Vibrations