Geometry & MOs

Info

ID:	28613
PubChem CID:	828624
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	261.092042
ΔH_f, kcal/mol:	-15.4
Dipole, Da:	3.97
IP(EA), eV:	-8.48(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[(1R)-1-(2-methylanilino)ethyl]phenol

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)CN2CCN(CC2)CC3=CC=NC=C3

DOS

IR

Vibrations