Geometry & MOs

Info

ID:	16889
PubChem CID:	478621
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-55.8
Dipole, Da:	3.29
IP(EA), eV:	-9.46(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-benzyl-3-(4-hydroxybutyl)pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=CC(=O)N(C(=N2)N)CCCCO

DOS

IR

Vibrations