Geometry & MOs

Info

ID:	34384
PubChem CID:	7891041
Reduced:	NO2C7H7 (3)
Stoich.:	AB2C7D7 (3)
Weight, g/mol:	389.1223
ΔH_f, kcal/mol:	-221.74
Dipole, Da:	5.44
IP(EA), eV:	-8.77(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-(4-amino-3-nitrobenzoyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=C(C3=CC=CC=C3C=C2)O)N

DOS

IR

Vibrations