Geometry & MOs

Info

ID:	69730
PubChem CID:	47205278
Reduced:	SN3O3C12H17 (1)
Stoich.:	AB3C3D12E17 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-96.89
Dipole, Da:	6.04
IP(EA), eV:	-9.71(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxypropyl)-4-phenyl-1H-pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCN1CC(=O)NCC2=CC=CC=N2

DOS

IR

Vibrations