Geometry & MOs

Info

ID:	247682
PubChem CID:	103072660
Reduced:	ION3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	347.04946
ΔH_f, kcal/mol:	4.02
Dipole, Da:	2.25
IP(EA), eV:	-8.96(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-6-methyl-3-[2-(propylaminomethyl)prop-2-enyl]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCNCC(=C)CN1C=NC(=C(C1=O)I)C

DOS

IR

Vibrations