Geometry & MOs

Info

ID:	197232
PubChem CID:	78939330
Reduced:	BrON2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	199.076392
ΔH_f, kcal/mol:	-5.07
Dipole, Da:	5.89
IP(EA), eV:	-9.14(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[3-chloro-4-(dimethylamino)phenyl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)N(C)CCC#N)Br)O

DOS

IR

Vibrations