Geometry & MOs

Info

ID:	199945
PubChem CID:	79321900
Reduced:	BrF2N2O3H9C13 (1)
Stoich.:	AB2C2D3E9F13 (1)
Weight, g/mol:	295.153206
ΔH_f, kcal/mol:	-167.47
Dipole, Da:	1.96
IP(EA), eV:	-9.35(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-morpholin-4-ylpropylcarbamoyl)pyrrol-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CN(C(=C1)C(=O)NC2=C(C=C(C=C2Br)F)F)CC(=O)O

DOS

IR

Vibrations