Geometry & MOs

Info

ID:	45598
PubChem CID:	10515394
Reduced:	OC18H26 (1)
Stoich.:	AB18C26 (1)
Weight, g/mol:	258.004349
ΔH_f, kcal/mol:	-50.72
Dipole, Da:	1.77
IP(EA), eV:	-8.51(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-2-chloro-2-nitroethenyl]-1-methoxy-2-nitrobenzene

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)CCC2=CC=C(C=C2)OC

DOS

IR

Vibrations