Geometry & MOs

Info

ID:	199960
PubChem CID:	79323750
Reduced:	N2O4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-119.66
Dipole, Da:	1.31
IP(EA), eV:	-8.91(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC(=O)CN2C=CC=C2C(=O)O

DOS

IR

Vibrations