Geometry & MOs

Info

ID:	28404
PubChem CID:	827377
Reduced:	ON4C11H12 (1)
Stoich.:	AB4C11D12 (1)
Weight, g/mol:	287.134385
ΔH_f, kcal/mol:	31.83
Dipole, Da:	8.53
IP(EA), eV:	-9.3(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2S)-2-(dimethylamino)propyl]phenyl]sulfanylphenol

Drug info:

PubChemData

Smile

CC1=CC(=O)N=C(N1)NNC2=CC=CC=C2

DOS

IR

Vibrations