Geometry & MOs

Info

ID:	184155
PubChem CID:	77120368
Reduced:	ClIN2O2C15H16 (1)
Stoich.:	ABC2D2E15F16 (1)
Weight, g/mol:	393.9626
ΔH_f, kcal/mol:	-2.26
Dipole, Da:	4.15
IP(EA), eV:	-8.49(-2.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(difluoromethoxy)-4-methoxyphenyl]-5-iodo-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC1=CC(=C2N=C(C(C(=N2)Cl)I)C(C)C)C=CC1=O

DOS

IR

Vibrations