Geometry & MOs

Info

ID:	199480
PubChem CID:	79253352
Reduced:	NOC13H29 (1)
Stoich.:	ABC13D29 (1)
Weight, g/mol:	235.193614
ΔH_f, kcal/mol:	-104.63
Dipole, Da:	3.49
IP(EA), eV:	-8.99(2.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[1-(2,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

CCC(C)CC(CC)NC(CO)C(C)C

DOS

IR

Vibrations