Geometry & MOs

Info

ID:	433471
PubChem CID:	135173608
Reduced:	NOSC13H29 (1)
Stoich.:	ABCD13E29 (1)
Weight, g/mol:	171.125929
ΔH_f, kcal/mol:	-92.73
Dipole, Da:	1.85
IP(EA), eV:	-8.48(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(2R)-but-3-yn-2-yl]oxypropoxy]ethanamine

Drug info:

PubChemData

Smile

CC(C)CNCCSCCCOC(C)(C)C

DOS

IR

Vibrations