Geometry & MOs

Info

ID:	302671
PubChem CID:	124391898
Reduced:	S2O3N5C26H33 (1)
Stoich.:	A2B3C5D26E33 (1)
Weight, g/mol:	259.084458
ΔH_f, kcal/mol:	-58.83
Dipole, Da:	6.16
IP(EA), eV:	-8.57(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7-dimethoxy-1-[(Z)-2-nitroethenyl]naphthalene

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC)[C@@H](CCSC)NC(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations