Geometry & MOs

Info

ID:	190582
PubChem CID:	78023433
Reduced:	O4N10C45H48 (1)
Stoich.:	A4B10C45D48 (1)
Weight, g/mol:	216.053492
ΔH_f, kcal/mol:	-16.03
Dipole, Da:	2.48
IP(EA), eV:	-8.99(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(phenoxymethyl)pyrimidine-4,5-dione

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)C6CCCN6C(=O)C(C7=CC=CC=C7)NC(=O)OC)NC8=NC=CC=N8

DOS

IR

Vibrations