Geometry & MOs

Info

ID:	28619
PubChem CID:	828638
Reduced:	ClNOC16H18 (1)
Stoich.:	ABCD16E18 (1)
Weight, g/mol:	275.107692
ΔH_f, kcal/mol:	-31.89
Dipole, Da:	1.73
IP(EA), eV:	-7.97(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[(1S)-1-(2,6-dimethylanilino)ethyl]phenol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N[C@H](C)C2=C(C=CC(=C2)Cl)O)C

DOS

IR

Vibrations