Geometry & MOs

Info

ID:	28616
PubChem CID:	828634
Reduced:	NOC10H16 (2)
Stoich.:	ABC10D16 (2)
Weight, g/mol:	275.107692
ΔH_f, kcal/mol:	-67.38
Dipole, Da:	1.73
IP(EA), eV:	-8.25(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[(1R)-1-(2,3-dimethylanilino)ethyl]phenol

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@H]1N2CCN(CC2)CC3=C(C(=CC=C3)OC)OC

DOS

IR

Vibrations