Geometry & MOs

Info

ID:	57294
PubChem CID:	22395603
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	375.992742
ΔH_f, kcal/mol:	-72.91
Dipole, Da:	2.45
IP(EA), eV:	-8.96(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,4-tetranitroxanthen-9-one

Drug info:

PubChemData

Smile

CC1(CC(=CC(N1)(C)C)OC(=O)C2=CC=CC=C2)C

DOS

IR

Vibrations