Geometry & MOs

Info

ID:	18693
PubChem CID:	546438
Reduced:	NO2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	235.157229
ΔH_f, kcal/mol:	-93.49
Dipole, Da:	6.99
IP(EA), eV:	-10.31(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4,4-trimethylpentyl)pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(CCC1=CN=C(C=C1)C(=O)O)C(C)(C)C

DOS

IR

Vibrations