Geometry & MOs

Info

ID:	15937
PubChem CID:	455686
Reduced:	N2O2C13H14 (1)
Stoich.:	A2B2C13D14 (1)
Weight, g/mol:	230.105528
ΔH_f, kcal/mol:	-38.17
Dipole, Da:	6.61
IP(EA), eV:	-9.4(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-2-methoxy-5-methyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(NC(=NC1=O)OC)CC2=CC=CC=C2

DOS

IR

Vibrations