Geometry & MOs

Info

ID:	265468
PubChem CID:	103523815
Reduced:	BrNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	283.02079
ΔH_f, kcal/mol:	-43.17
Dipole, Da:	2.53
IP(EA), eV:	-8.82(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-2,4-dimethoxyphenyl)-2,5-dihydro-1H-pyrrole

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C2=CCNCC2)OC)Br

DOS

IR

Vibrations