Geometry & MOs

Info

ID:	64980
PubChem CID:	29204288
Reduced:	OCl3N5H16C22 (1)
Stoich.:	AB3C5D16E22 (1)
Weight, g/mol:	407.020639
ΔH_f, kcal/mol:	82.06
Dipole, Da:	5.76
IP(EA), eV:	-9.36(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]-N'-(2,4,6-trichlorophenyl)acetohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)C(=O)NNC4=C(C=C(C=C4Cl)Cl)Cl

DOS

IR

Vibrations