Geometry & MOs

Info

ID:	211769
PubChem CID:	81053851
Reduced:	O2N4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	-45.76
Dipole, Da:	3.91
IP(EA), eV:	-9.28(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(hydroxymethyl)cyclopentyl]methylamino]-2,6-dimethylpyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=O)O)NCC2=NC=CN2C

DOS

IR

Vibrations