Geometry & MOs

Info

ID:	197238
PubChem CID:	78940104
Reduced:	ClNO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	249.209264
ΔH_f, kcal/mol:	-86.54
Dipole, Da:	2.03
IP(EA), eV:	-8.11(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[4-[ethyl(2-ethylbutyl)amino]phenyl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)N(C)CC2CCCO2)Cl)O

DOS

IR

Vibrations