Geometry & MOs

Info

ID:	324039
PubChem CID:	126676803
Reduced:	BrSN2C9H13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	265.18305
ΔH_f, kcal/mol:	23.19
Dipole, Da:	3.38
IP(EA), eV:	-8.57(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-4-(3-ethylphenyl)pyrrolidine

Drug info:

PubChemData

Smile

C/C=C(/CBr)\C1=C(N=C(S1)NC)C

DOS

IR

Vibrations