Geometry & MOs

Info

ID:	288421
PubChem CID:	104316497
Reduced:	NO2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	237.172879
ΔH_f, kcal/mol:	-96.6
Dipole, Da:	2.99
IP(EA), eV:	-8.24(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-amino-5-methyl-2-propan-2-ylphenoxy)butan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCCC(C)O)C)N

DOS

IR

Vibrations