Geometry & MOs

Info

ID:	211741
PubChem CID:	81052756
Reduced:	N2O2C15H22 (1)
Stoich.:	A2B2C15D22 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-108.52
Dipole, Da:	5.5
IP(EA), eV:	-8.97(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(2-methylbut-3-yn-2-ylamino)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=O)O)NCC2(CCCC2)C

DOS

IR

Vibrations