Geometry & MOs

Info

ID:	28756
PubChem CID:	829372
Reduced:	NO2H17C20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	213.078979
ΔH_f, kcal/mol:	36.63
Dipole, Da:	1.63
IP(EA), eV:	-8.8(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylphenyl) pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=NO)C3=CC=CC=C3

DOS

IR

Vibrations