Geometry & MOs

Info

ID:	159131
PubChem CID:	57260513
Reduced:	ClNOSC16H16 (1)
Stoich.:	ABCDE16F16 (1)
Weight, g/mol:	216.089878
ΔH_f, kcal/mol:	-6.66
Dipole, Da:	6.52
IP(EA), eV:	-8.62(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(N-amino-3-hydroxyanilino)phenol

Drug info:

PubChemData

Smile

CC=C1C2=C(CCCC2)C(=O)N1C3=CC(=C(C=C3)Cl)S

DOS

IR

Vibrations