Geometry & MOs

Info

ID:	232527
PubChem CID:	87576367
Reduced:	FSN4O6C50H73 (1)
Stoich.:	ABC4D6E50F73 (1)
Weight, g/mol:	259.251129
ΔH_f, kcal/mol:	-313.35
Dipole, Da:	3.69
IP(EA), eV:	-8.7(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-tridecoxyethanol

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F.C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CCC(C4)OS(=O)(=O)O)C)C

DOS

IR

Vibrations