Geometry & MOs

Info

ID:	27615
PubChem CID:	822595
Reduced:	N2O5C15H18 (1)
Stoich.:	A2B5C15D18 (1)
Weight, g/mol:	290.126657
ΔH_f, kcal/mol:	-180.39
Dipole, Da:	4.88
IP(EA), eV:	-9.01(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-4-(2-methoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(NC(=O)N[C@H]1C2=C(C=C(C=C2)OC)OC)C(=O)OC

DOS

IR

Vibrations