Geometry & MOs

Info

ID:	407258
PubChem CID:	135079680
Reduced:	NH21C23 (1)
Stoich.:	AB21C23 (1)
Weight, g/mol:	428.100836
ΔH_f, kcal/mol:	97.62
Dipole, Da:	1.81
IP(EA), eV:	-8.32(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(7-benzyl-1-nitronaphthalen-2-yl)-6-nitro-1,3-benzodioxole

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1N=C=C(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations