Geometry & MOs

Info

ID:	147704
PubChem CID:	53787361
Reduced:	O5C29H38 (1)
Stoich.:	A5B29C38 (1)
Weight, g/mol:	202.204513
ΔH_f, kcal/mol:	-190.8
Dipole, Da:	5.32
IP(EA), eV:	-8.76(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-aminobutylamino)-3-ethylpentan-2-ol

Drug info:

PubChemData

Smile

CCCC1=C(C(=C(C=C1)OCCC)C=CC(=O)C2=CC=C(C=C2)OC(=O)C(C)(C)C)OCCC

DOS

IR

Vibrations