Geometry & MOs

Info

ID:	206945
PubChem CID:	80323408
Reduced:	NSC15H27 (1)
Stoich.:	ABC15D27 (1)
Weight, g/mol:	268.178693
ΔH_f, kcal/mol:	-22.84
Dipole, Da:	0.83
IP(EA), eV:	-8.77(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-N-[(5-nitrofuran-2-yl)methyl]heptan-1-amine

Drug info:

PubChemData

Smile

CCCCCC(C)(C)CNCC1=C(C=CS1)C

DOS

IR

Vibrations