Geometry & MOs

Info

ID:	265632
PubChem CID:	103535014
Reduced:	N2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	299.01571
ΔH_f, kcal/mol:	-78.68
Dipole, Da:	7.87
IP(EA), eV:	-8.81(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-(3-methoxypyrrolidin-1-yl)benzoic acid

Drug info:

PubChemData

Smile

COC1CN(CC1OC)C2=NC=C(C=C2)C=O

DOS

IR

Vibrations