Geometry & MOs

Info

ID:	171605
PubChem CID:	75402415
Reduced:	ClN2O2H17C21 (1)
Stoich.:	AB2C2D17E21 (1)
Weight, g/mol:	294.157957
ΔH_f, kcal/mol:	1.8
Dipole, Da:	6.01
IP(EA), eV:	-8.8(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(OC2=C1C=C(C=C2)Cl)C(=O)N(CC3=CC=CC=C3)C4=CC=CC=N4

DOS

IR

Vibrations