Geometry & MOs

Info

ID:	421375
PubChem CID:	135115888
Reduced:	O2N4C17H28 (1)
Stoich.:	A2B4C17D28 (1)
Weight, g/mol:	347.19574
ΔH_f, kcal/mol:	-73.1
Dipole, Da:	4.56
IP(EA), eV:	-8.93(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)C(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO)C

DOS

IR

Vibrations