Geometry & MOs

Info

ID:	342005
PubChem CID:	127264698
Reduced:	OCl2N2H12C14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	260.094963
ΔH_f, kcal/mol:	6.21
Dipole, Da:	1.85
IP(EA), eV:	-9.28(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(2H-chromen-3-yl)ethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1C(C1NC(=O)C2=CC(=CN2)Cl)C3=CC=CC=C3Cl

DOS

IR

Vibrations