Geometry & MOs

Info

ID:	211752
PubChem CID:	81053439
Reduced:	N2O2C11H20 (1)
Stoich.:	A2B2C11D20 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-54.83
Dipole, Da:	2.06
IP(EA), eV:	-9.01(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethylazepan-1-yl)-2,6-dimethylpyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOCCN(C)C(CN)C1=CC=CO1

DOS

IR

Vibrations