Geometry & MOs

Info

ID:	28611
PubChem CID:	828622
Reduced:	ClNOC15H16 (1)
Stoich.:	ABCD15E16 (1)
Weight, g/mol:	261.092042
ΔH_f, kcal/mol:	-22.53
Dipole, Da:	4.13
IP(EA), eV:	-8.72(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations