Geometry & MOs

Info

ID:	291676
PubChem CID:	113459499
Reduced:	ON3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	237.172879
ΔH_f, kcal/mol:	-24.97
Dipole, Da:	3.01
IP(EA), eV:	-8.84(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(3-propan-2-ylphenoxy)pentan-1-ol

Drug info:

PubChemData

Smile

CCC(C(CO)N1C=NC2=C1C=C(C(=C2)C)C)N

DOS

IR

Vibrations