Geometry & MOs

Info

ID:	58577
PubChem CID:	24702338
Reduced:	SN2O2H14C15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	268.05751
ΔH_f, kcal/mol:	-16.5
Dipole, Da:	3.51
IP(EA), eV:	-8.7(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-bromo-3-methylphenyl)pyrrolidin-3-yl]methanamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C(=S)N

DOS

IR

Vibrations