Geometry & MOs

Info

ID:	275721
PubChem CID:	103817251
Reduced:	ClO3N4H5C8 (1)
Stoich.:	AB3C4D5E8 (1)
Weight, g/mol:	309.088019
ΔH_f, kcal/mol:	19.84
Dipole, Da:	2.76
IP(EA), eV:	-11.12(-2.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-chloro-5-nitropyridin-3-yl)methanone

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1C(=O)NCC#N)Cl)[N+](=O)[O-]

DOS

IR

Vibrations