Geometry & MOs

Info

ID:	177366
PubChem CID:	76175611
Reduced:	ON3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	249.184112
ΔH_f, kcal/mol:	-47.41
Dipole, Da:	4.01
IP(EA), eV:	-9.27(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-(4-methylcyclohexyl)-5-propyl-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCC1C(NC(NC1=O)CC2=CC=CC(=C2)C)N

DOS

IR

Vibrations