Geometry & MOs

Info

ID:	426771
PubChem CID:	135153803
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	336.087685
ΔH_f, kcal/mol:	5.33
Dipole, Da:	4.17
IP(EA), eV:	-8.52(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-[(3,5-dimethoxyphenyl)methylamino]-5-methylpyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)NC)C#N

DOS

IR

Vibrations