Geometry & MOs

Info

ID:	200611
PubChem CID:	79415361
Reduced:	N2O3C15H18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	298.027583
ΔH_f, kcal/mol:	-82.08
Dipole, Da:	4.76
IP(EA), eV:	-8.36(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NCC2=CC=C(N2)C(=O)OC

DOS

IR

Vibrations