Geometry & MOs

Info

ID:	230191
PubChem CID:	87570390
Reduced:	N3O4Cl6H9C10 (1)
Stoich.:	A3B4C6D9E10 (1)
Weight, g/mol:	415.101565
ΔH_f, kcal/mol:	-189.57
Dipole, Da:	2.97
IP(EA), eV:	-10.5(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-methoxy-3-(3-methyl-4,5-dinitrophenyl)-1-oxo-4-phenylbut-2-en-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CN1C(=C(C(=N1)CC(Cl)(Cl)Cl)CC(Cl)(Cl)Cl)N(C(=O)O)C(=O)O

DOS

IR

Vibrations