Geometry & MOs

Info

ID:	390028
PubChem CID:	134996692
Reduced:	N3C29H39 (1)
Stoich.:	A3B29C39 (1)
Weight, g/mol:	501.149381
ΔH_f, kcal/mol:	44.1
Dipole, Da:	3.15
IP(EA), eV:	-9.38(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-dinaphthalen-1-ylphosphoryl-2-nitroethyl]naphthalene

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations