Geometry & MOs

Info

ID:	130810
PubChem CID:	51111265
Reduced:	N2O2H16C21 (1)
Stoich.:	A2B2C16D21 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	28.14
Dipole, Da:	4.44
IP(EA), eV:	-9.27(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-ethyl-4-[(E)-3-(ethylamino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC3=CC=CC=C3O2)NC(=O)C4=CN=CC=C4

DOS

IR

Vibrations