Geometry & MOs

Info

ID:	142234
PubChem CID:	53004483
Reduced:	ON5H17C20 (1)
Stoich.:	AB5C17D20 (1)
Weight, g/mol:	298.131742
ΔH_f, kcal/mol:	128.93
Dipole, Da:	7.19
IP(EA), eV:	-9.04(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-oxo-N-propan-2-ylchromeno[4,3-b]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCNC2=NN=C(C=C2)C3=NC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations