Geometry & MOs

Info

ID:	184173
PubChem CID:	77124487
Reduced:	IOCl2N2H13C14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	368.03856
ΔH_f, kcal/mol:	7.71
Dipole, Da:	6.26
IP(EA), eV:	-9.49(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dimethylphenyl)methyl]-6-ethyl-5-iodo-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCC1=NC(=NC(=O)C1I)CC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations