Geometry & MOs

Info

ID:	206436
PubChem CID:	80250185
Reduced:	S2N3O4C10H11 (1)
Stoich.:	A2B3C4D10E11 (1)
Weight, g/mol:	261.118735
ΔH_f, kcal/mol:	-94.68
Dipole, Da:	4.85
IP(EA), eV:	-9.12(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(3-methylthiophen-2-yl)methylamino]propyl]phenol

Drug info:

PubChemData

Smile

CC1=CSC=C1CNS(=O)(=O)C2=C(C=NN2)C(=O)O

DOS

IR

Vibrations