Geometry & MOs

Info

ID:	405414
PubChem CID:	135073857
Reduced:	O2N3C25H34 (1)
Stoich.:	A2B3C25D34 (1)
Weight, g/mol:	462.04806
ΔH_f, kcal/mol:	-21.68
Dipole, Da:	2.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.794850
Charge, e:	0

Chem-info

IUPAC name:

2-(3,3-diphenylprop-2-enoxy)-1-iodonaphthalene

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([N+](=C(N1C)N(CC2=CC=CC=C2)/C=C(\O)/OC(C)(C)C)C)C3=CC=CC=C3

DOS

IR

Vibrations