Geometry & MOs

Info

ID:	312914
PubChem CID:	126609886
Reduced:	N2O2C13H14 (1)
Stoich.:	A2B2C13D14 (1)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-4.65
Dipole, Da:	2.21
IP(EA), eV:	-8.39(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(ethoxymethyl)-2-phenylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCC(=O)O/N=C/C1=CN(C2=CC=CC=C21)C

DOS

IR

Vibrations