Geometry & MOs

Info

ID:	303153
PubChem CID:	124489277
Reduced:	BrN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	326.06299
ΔH_f, kcal/mol:	-61.25
Dipole, Da:	3.57
IP(EA), eV:	-9.1(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-5-methoxyphenyl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CNC[C@@H]1CCN(C1)C(=O)C2=C(C=CC(=C2)OC)Br

DOS

IR

Vibrations