Geometry & MOs

Info

ID:	294959
PubChem CID:	117509315
Reduced:	BrN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	326.09938
ΔH_f, kcal/mol:	-57.28
Dipole, Da:	4.7
IP(EA), eV:	-8.92(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=CC(=C1C2CCNCC2)Br)OC

DOS

IR

Vibrations