Geometry & MOs

Info

ID:	285918
PubChem CID:	104137457
Reduced:	N2O3C15H22 (1)
Stoich.:	A2B3C15D22 (1)
Weight, g/mol:	275.163377
ΔH_f, kcal/mol:	-119.44
Dipole, Da:	4.17
IP(EA), eV:	-8.98(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-cyanopropyl(ethyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=C1)C(=O)O)N2CCOCC2(C)C

DOS

IR

Vibrations