Geometry & MOs

Info

ID:	373496
PubChem CID:	131316072
Reduced:	ClON2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	275.96984
ΔH_f, kcal/mol:	-10.73
Dipole, Da:	5.27
IP(EA), eV:	-8.92(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-(3-fluorophenyl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)C(C1=C(C=C(C=C1)N)CC#N)Cl

DOS

IR

Vibrations