Geometry & MOs

Info

ID:	200575
PubChem CID:	79412274
Reduced:	ON3C16H29 (1)
Stoich.:	AB3C16D29 (1)
Weight, g/mol:	187.193614
ΔH_f, kcal/mol:	-56.3
Dipole, Da:	2.42
IP(EA), eV:	-8.99(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-3-ethyloctan-4-ol

Drug info:

PubChemData

Smile

CCCCC1=NC(=C(C(=N1)C)C(C)CNCCOC)C

DOS

IR

Vibrations