Geometry & MOs

Info

ID:	199954
PubChem CID:	79322499
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	294.081599
ΔH_f, kcal/mol:	-108.59
Dipole, Da:	6.24
IP(EA), eV:	-9.4(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2,5-difluorophenyl)methylcarbamoyl]pyrrol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CN(CC1CC2CCC1C2)C(=O)C3=CC=CN3CC(=O)O

DOS

IR

Vibrations