Geometry & MOs

Info

ID:	282335
PubChem CID:	103922669
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	235.193614
ΔH_f, kcal/mol:	-41.7
Dipole, Da:	3.47
IP(EA), eV:	-9.14(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[1-(2,4,6-trimethylphenyl)ethylamino]butan-1-ol

Drug info:

PubChemData

Smile

CC[C@H](CO)NC(C)C1=CN=C(N=C1C)C

DOS

IR

Vibrations