Geometry & MOs

Info

ID:	336376
PubChem CID:	127255383
Reduced:	ClN2O6C14H21 (1)
Stoich.:	AB2C6D14E21 (1)
Weight, g/mol:	199.040006
ΔH_f, kcal/mol:	-193.57
Dipole, Da:	4.6
IP(EA), eV:	-9.35(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropylpyridine-2-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)OC)OC)N.Cl

DOS

IR

Vibrations