Geometry & MOs

Info

ID:	27532
PubChem CID:	821858
Reduced:	SO3H10C11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	231.108171
ΔH_f, kcal/mol:	-87.22
Dipole, Da:	2.03
IP(EA), eV:	-8.39(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-1-(5-methyl-4-phenylthiophen-2-yl)methanamine

Drug info:

PubChemData

Smile

COC(=C1C(=O)C2=CC=CC=C2CS1)O

DOS

IR

Vibrations