Geometry & MOs

Info

ID:	20365
PubChem CID:	583356
Reduced:	ON2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	-56.69
Dipole, Da:	4.68
IP(EA), eV:	-8.18(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-5-(4-phenylpiperazin-1-yl)-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCC1=C(C(=O)NC(=O)N1)N2CCN(CC2)C3=CC=CC=C3

DOS

IR

Vibrations