Geometry & MOs

Info

ID:	304052
PubChem CID:	124491723
Reduced:	NO2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	195.162314
ΔH_f, kcal/mol:	-146.01
Dipole, Da:	2.26
IP(EA), eV:	-9.15(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(5-methylfuran-2-yl)heptan-1-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=NN1)O[C@@H]2CCCCO2)C

DOS

IR

Vibrations