Geometry & MOs

Info

ID:	25627
PubChem CID:	627595
Reduced:	N3O3H17C20 (1)
Stoich.:	A3B3C17D20 (1)
Weight, g/mol:	304.044384
ΔH_f, kcal/mol:	-9.09
Dipole, Da:	2.57
IP(EA), eV:	-8.8(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,6-trinitro-N-phenylaniline

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OC(=O)C

DOS

IR

Vibrations