Geometry & MOs

Info

ID:	184163
PubChem CID:	77121551
Reduced:	BrOSN2C13H15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	385.96829
ΔH_f, kcal/mol:	0.53
Dipole, Da:	4.29
IP(EA), eV:	-9.27(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)methyl]-6-cyclopropyl-5-iodo-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCC1=NC(=NC(=O)C1Br)C2=C(SC(=C2)C)C

DOS

IR

Vibrations