Geometry & MOs

Info

ID:	284028
PubChem CID:	104028003
Reduced:	BrON4C11H11 (1)
Stoich.:	ABC4D11E11 (1)
Weight, g/mol:	341.07389
ΔH_f, kcal/mol:	23.14
Dipole, Da:	6.92
IP(EA), eV:	-9.03(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-2-bromophenyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C(=CC=N1)NC(=O)C2=C(C(=CC=C2)N)Br

DOS

IR

Vibrations