Geometry & MOs

Info

ID:	21284
PubChem CID:	587839
Reduced:	O2N3C10H17 (1)
Stoich.:	A2B3C10D17 (1)
Weight, g/mol:	211.132077
ΔH_f, kcal/mol:	-99.49
Dipole, Da:	7.01
IP(EA), eV:	-10.37(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-butyl-5-ethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCCCC1(C(=NC(=O)NC1=O)N)CC

DOS

IR

Vibrations