Geometry & MOs

Info

ID:	200350
PubChem CID:	79376471
Reduced:	ClN2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	-92.12
Dipole, Da:	4.22
IP(EA), eV:	-8.9(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methoxy-6-methylpyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C(=N1)OC)CC2=C(C=CC(=C2)Cl)OC

DOS

IR

Vibrations