Geometry & MOs

Info

ID:	184164
PubChem CID:	77122420
Reduced:	ClION2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	405.97452
ΔH_f, kcal/mol:	45.84
Dipole, Da:	4.99
IP(EA), eV:	-9.48(-2.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloro-6-fluorophenyl)methyl]-5-iodo-6-propyl-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC1C2=NC(=NC(=O)C2I)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations