Geometry & MOs

Info

ID:	396562
PubChem CID:	135028773
Reduced:	OH10C11 (2)
Stoich.:	AB10C11 (2)
Weight, g/mol:	292.105922
ΔH_f, kcal/mol:	-17.87
Dipole, Da:	2.0
IP(EA), eV:	-8.9(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-methoxycarbonyl-2,4-dihydropyran-3-yl)pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)O)/C(=C\CO)/C2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations