Geometry & MOs

Info

ID:	284572
PubChem CID:	104053163
Reduced:	BrON2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	257.105193
ΔH_f, kcal/mol:	6.2
Dipole, Da:	3.0
IP(EA), eV:	-8.94(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxy-2,5-dimethylphenyl)pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)C)C(C2=CC(=CN=C2)Br)NC

DOS

IR

Vibrations