Geometry & MOs

Info

ID:	342649
PubChem CID:	127265809
Reduced:	NO3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	326.126657
ΔH_f, kcal/mol:	-67.25
Dipole, Da:	3.53
IP(EA), eV:	-8.72(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[1-(2,3-dihydro-1-benzofuran-5-yl)prop-1-en-2-yl]-6-oxo-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

COC(CNC(=O)[C@@H]1C[C@]12CCOC3=CC=CC=C23)C4=CC=CC=C4

DOS

IR

Vibrations