Geometry & MOs

Info

ID:	260141
PubChem CID:	103182748
Reduced:	O2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	280.072703
ΔH_f, kcal/mol:	-82.32
Dipole, Da:	3.31
IP(EA), eV:	-8.77(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-amino-3,5-dimethylpyridin-2-yl)methyl]-5-chloropyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1N)C)CN2C(=O)CCCCC2=O

DOS

IR

Vibrations