Geometry & MOs

Info

ID:	209466
PubChem CID:	80677496
Reduced:	BrN2O3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	296.05243
ΔH_f, kcal/mol:	-29.99
Dipole, Da:	5.11
IP(EA), eV:	-10.07(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromopyrrolidin-1-yl)-[4-(dimethylamino)phenyl]methanone

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CBr

DOS

IR

Vibrations