Geometry & MOs

Info

ID:	200615
PubChem CID:	79415365
Reduced:	N2O3C12H20 (1)
Stoich.:	A2B3C12D20 (1)
Weight, g/mol:	292.097855
ΔH_f, kcal/mol:	-117.0
Dipole, Da:	3.78
IP(EA), eV:	-9.14(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[2-(4-chlorophenyl)ethylamino]methyl]-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCOCCCNCC1=CC=C(N1)C(=O)OC

DOS

IR

Vibrations