Geometry & MOs

Info

ID:	17094
PubChem CID:	484025
Reduced:	NOSC19H23 (1)
Stoich.:	ABCD19E23 (1)
Weight, g/mol:	313.150036
ΔH_f, kcal/mol:	-19.75
Dipole, Da:	4.44
IP(EA), eV:	-8.06(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(cycloheptylamino)phenyl]sulfanylphenol

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC2=CC=C(C=C2)SC3=CC=C(C=C3)O

DOS

IR

Vibrations