Geometry & MOs

Info

ID:	448773
PubChem CID:	135293513
Reduced:	N7C24H29 (1)
Stoich.:	A7B24C29 (1)
Weight, g/mol:	223.054575
ΔH_f, kcal/mol:	103.23
Dipole, Da:	3.0
IP(EA), eV:	-8.49(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-cyano-3-fluorophenyl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C1=CN=CC(=C1)C2=NC=C3CNN(C3=C2)C4=CC=CC(=N4)N5CCC[C@H](C5)N

DOS

IR

Vibrations