Geometry & MOs

Info

ID:	264524
PubChem CID:	103467044
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	256.112425
ΔH_f, kcal/mol:	-54.72
Dipole, Da:	4.28
IP(EA), eV:	-9.54(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C1CCC(CC1)C2=NOC(=N2)[C@H]3C[C@@H](CN3)OC

DOS

IR

Vibrations