Geometry & MOs

Info

ID:	285916
PubChem CID:	104137359
Reduced:	N2O2C15H22 (1)
Stoich.:	A2B2C15D22 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-91.68
Dipole, Da:	5.88
IP(EA), eV:	-8.85(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(methylamino)propylamino]-6-propan-2-ylpyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=C1)C(=O)O)NC2(CCCC2)C

DOS

IR

Vibrations