Geometry & MOs

Info

ID:	294755
PubChem CID:	117488698
Reduced:	BrClO2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	302.01854
ΔH_f, kcal/mol:	-75.84
Dipole, Da:	3.4
IP(EA), eV:	-9.78(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(5-bromo-2-chlorophenyl)-1-methylpyrrolidin-3-yl]methanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1Cl)Br)C2(CCC2)C(=O)O

DOS

IR

Vibrations