Geometry & MOs

Info

ID:	28610
PubChem CID:	828614
Reduced:	ClO2N4H13C16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	261.092042
ΔH_f, kcal/mol:	16.2
Dipole, Da:	5.33
IP(EA), eV:	-9.08(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)C3=CC=C(C=C3)Cl)N

DOS

IR

Vibrations