Geometry & MOs

Info

ID:	315240
PubChem CID:	126625248
Reduced:	N2O3H14C19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	125.120449
ΔH_f, kcal/mol:	-20.1
Dipole, Da:	4.19
IP(EA), eV:	-8.96(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-oct-7-yn-2-amine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3(C4=CC=CC=C4O2)C5=C(C(=O)O3)N(C=N5)C

DOS

IR

Vibrations