Geometry & MOs

Info

ID:	178879
PubChem CID:	76394794
Reduced:	O3N4C17H20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	323.090606
ΔH_f, kcal/mol:	-28.05
Dipole, Da:	4.93
IP(EA), eV:	-8.86(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]carbamoyl]-1H-indole-7-carboxylic acid

Drug info:

PubChemData

Smile

CC(C(=O)NCCCOC)N1C2C(=CN=NC2=O)C3=CC=CC=C31

DOS

IR

Vibrations