Geometry & MOs

Info

ID:	409096
PubChem CID:	135081872
Reduced:	PO2C9H13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	543.928472
ΔH_f, kcal/mol:	-97.24
Dipole, Da:	2.64
IP(EA), eV:	-9.46(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2,4-dichloro-N,6-dinitroanilino)propyl]-N-(2,4-dichloro-6-nitrophenyl)nitramide

Drug info:

PubChemData

Smile

CP1(=O)CC2=C(C1)C[C@H]3[C@@H](C2)O3

DOS

IR

Vibrations