Geometry & MOs

Info

ID:	285938
PubChem CID:	104138925
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-72.12
Dipole, Da:	6.09
IP(EA), eV:	-8.67(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,2-dimethylpiperidin-4-yl)amino]-6-propylpyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=C1)C(=O)O)N2CC(C(C2)N(C)C)C

DOS

IR

Vibrations