Geometry & MOs

Info

ID:	195675
PubChem CID:	78721456
Reduced:	NO3C20H28 (1)
Stoich.:	AB3C20D28 (1)
Weight, g/mol:	334.131742
ΔH_f, kcal/mol:	-113.1
Dipole, Da:	10.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.785644
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(2-phenylanilino)propan-2-yl] 1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C(C)C)C(=CC(=O)O2)C[NH+]3CCCC(C3)CO

DOS

IR

Vibrations