Geometry & MOs

Info

ID:	285027
PubChem CID:	104091710
Reduced:	BrNSC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	169.146664
ΔH_f, kcal/mol:	58.9
Dipole, Da:	1.23
IP(EA), eV:	-9.28(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxyoct-7-yn-3-amine

Drug info:

PubChemData

Smile

CCCNC(CCCC#C)C1=CC(=CS1)Br

DOS

IR

Vibrations