Geometry & MOs

Info

ID:	397241
PubChem CID:	135029942
Reduced:	SO2N3H21C29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	174.126726
ΔH_f, kcal/mol:	80.19
Dipole, Da:	1.22
IP(EA), eV:	-8.5(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-deuterioethenyl)phenyl]pyrrolidine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(C3(C(S2)C(=O)C4=CC=CC=C4)C5=CC=CC=C5NC3=O)C6=CC=CC=C6

DOS

IR

Vibrations