Geometry & MOs

Info

ID:	29807
PubChem CID:	837452
Reduced:	NO3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	-88.6
Dipole, Da:	6.74
IP(EA), eV:	-9.19(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1O[C@@H](C)C(=O)NC2=CC=C(C=C2)C(=O)C

DOS

IR

Vibrations