Geometry & MOs

Info

ID:	54591
PubChem CID:	17388953
Reduced:	N3O7C15H23 (1)
Stoich.:	A3B7C15D23 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-292.27
Dipole, Da:	4.84
IP(EA), eV:	-9.07(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(benzylamino)propyl]-3,6-dimethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C(=O)N1CCCN2CCOCC2)C.C(=O)(C(=O)O)O

DOS

IR

Vibrations