Geometry & MOs

Info

ID:	226806
PubChem CID:	87558432
Reduced:	BrON2C20H23 (1)
Stoich.:	ABC2D20E23 (1)
Weight, g/mol:	408.027977
ΔH_f, kcal/mol:	29.94
Dipole, Da:	7.16
IP(EA), eV:	-8.36(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-(4-chloro-6-nitro-6-prop-1-ynylcyclohexa-2,4-dien-1-yl)oxy-6-nitro-6-prop-1-ynylcyclohexa-1,3-diene

Drug info:

PubChemData

Smile

CN(C)CCN(C)C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2Br

DOS

IR

Vibrations