Geometry & MOs

Info

ID:	203814
PubChem CID:	79873058
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	240.074621
ΔH_f, kcal/mol:	-42.62
Dipole, Da:	3.24
IP(EA), eV:	-8.73(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dioxo-1-(oxolan-3-ylmethyl)pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2(C)C)NN

DOS

IR

Vibrations