Geometry & MOs

Info

ID:	430219
PubChem CID:	135170283
Reduced:	NSH23C25 (1)
Stoich.:	ABC23D25 (1)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	93.85
Dipole, Da:	1.37
IP(EA), eV:	-8.75(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[hydroxy(methylamino)methyl]phenyl]phenol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2C(=C(NC3=CC=CC=C3S2)C4=CC=CC=C4C)C=C

DOS

IR

Vibrations