Geometry & MOs

Info

ID:	47059
PubChem CID:	10529230
Reduced:	O3N4C30H30 (1)
Stoich.:	A3B4C30D30 (1)
Weight, g/mol:	494.235814
ΔH_f, kcal/mol:	105.81
Dipole, Da:	6.15
IP(EA), eV:	-8.65(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-naphthalen-1-yl-1-(1-tritylimidazol-4-yl)propan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)C\1=CC(C=C/C1=[N+](\O)/[O-])C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)N4N=C5C=CC=CC5=N4

DOS

IR

Vibrations