Geometry & MOs

Info

ID:	28243
PubChem CID:	826481
Reduced:	OSN4C11H14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	231.071785
ΔH_f, kcal/mol:	21.91
Dipole, Da:	2.19
IP(EA), eV:	-8.8(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(aminomethyl)phenyl]sulfanylphenol

Drug info:

PubChemData

Smile

CC1(CC2=C(CO1)SC3=C2C(=N)N(C=N3)N)C

DOS

IR

Vibrations