Geometry & MOs

Info

ID:	448464
PubChem CID:	135291129
Reduced:	S2N5O6C39H47 (1)
Stoich.:	A2B5C6D39E47 (1)
Weight, g/mol:	285.105105
ΔH_f, kcal/mol:	-66.92
Dipole, Da:	7.33
IP(EA), eV:	-8.37(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dichlorophenyl)-3,4-dimethyl-1-propan-2-ylpyrrolidine

Drug info:

PubChemData

Smile

CC/C=C\C=C(/C/C=C\N=C)\S(=O)(=O)N(C)[C@@H](CC1=CC=C(C=C1)OS(=O)(=O)/C/2=C/C=C\CC=N/C=C\C2)C(=O)N3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations