Geometry & MOs

Info

ID:	28259
PubChem CID:	826611
Reduced:	SN3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	287.098
ΔH_f, kcal/mol:	78.07
Dipole, Da:	2.34
IP(EA), eV:	-8.45(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,3-benzodioxol-4-ylsulfanyl)phenyl]-N,N-dimethylmethanamine

Drug info:

PubChemData

Smile

C1CN=C(N1)N[C@@H]2C3=CC=CC=C3CSC4=CC=CC=C24

DOS

IR

Vibrations