Geometry & MOs

Info

ID:	83634
PubChem CID:	49859407
Reduced:	N4O7H26C30 (1)
Stoich.:	A4B7C26D30 (1)
Weight, g/mol:	316.142307
ΔH_f, kcal/mol:	-115.76
Dipole, Da:	2.3
IP(EA), eV:	-8.67(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2-ethenoxyethyl)-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CN1C2C3=C(C(=O)N(C3=O)CC4=CC5=C(C=C4)OCO5)N=C6[C@@]2(C[C@H](N6C(=O)OCCC#C)CO)C7=CC=CC=C71

DOS

IR

Vibrations