Geometry & MOs

Info

ID:	55544
PubChem CID:	17395522
Reduced:	O3N4C17H22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	352.142307
ΔH_f, kcal/mol:	-80.14
Dipole, Da:	8.79
IP(EA), eV:	-8.53(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,4-dimethyl-5-[2-(1-oxoisoquinolin-2-yl)acetyl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)CN2C(=O)N3CCCCCC3=N2

DOS

IR

Vibrations