Geometry & MOs

Info

ID:	234639
PubChem CID:	92303214
Reduced:	NO4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	254.163043
ΔH_f, kcal/mol:	-153.34
Dipole, Da:	4.52
IP(EA), eV:	-9.17(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=C(C2=CC=CC=C2N(C1=O)C)O)C(=O)O

DOS

IR

Vibrations