Geometry & MOs

Info

ID:	200612
PubChem CID:	79415362
Reduced:	Cl2N2O2H12C13 (1)
Stoich.:	A2B2C2D12E13 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-57.96
Dipole, Da:	3.13
IP(EA), eV:	-9.13(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(3,4-dimethylanilino)methyl]-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(N1)CNC2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations