Geometry & MOs

Info

ID:	401142
PubChem CID:	135050291
Reduced:	ClN4O6C15H23 (1)
Stoich.:	AB4C6D15E23 (1)
Weight, g/mol:	319.873917
ΔH_f, kcal/mol:	-306.81
Dipole, Da:	4.67
IP(EA), eV:	-10.13(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1,5-dinitro-3-(trichloromethyl)benzene

Drug info:

PubChemData

Smile

CC(=O)[C@@H]1[C@@H]([C@H](O[C@H](C1(NC(=O)C)NC(=O)C)NC(=O)C)Cl)NC(=O)C

DOS

IR

Vibrations