Geometry & MOs

Info

ID:	125874
PubChem CID:	50941739
Reduced:	ClFON3H7C12 (1)
Stoich.:	ABCD3E7F12 (1)
Weight, g/mol:	322.9461
ΔH_f, kcal/mol:	11.78
Dipole, Da:	8.89
IP(EA), eV:	-9.95(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-2-chloro-4-oxopyrimidin-1-yl)methyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C=C(C(=O)N=C2Cl)F)C#N

DOS

IR

Vibrations