Geometry & MOs

Info

ID:	277206
PubChem CID:	103827297
Reduced:	NOC17H29 (1)
Stoich.:	ABC17D29 (1)
Weight, g/mol:	249.209264
ΔH_f, kcal/mol:	-72.05
Dipole, Da:	2.08
IP(EA), eV:	-8.94(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[4-(2-methylpropyl)phenyl]ethylamino]butan-1-ol

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)C(C)NCCCCCO

DOS

IR

Vibrations