Geometry & MOs

Info

ID:	384135
PubChem CID:	134976404
Reduced:	PWO5H9C14 (1)
Stoich.:	ABC5D9E14 (1)
Weight, g/mol:	349.150036
ΔH_f, kcal/mol:	57.91
Dipole, Da:	4.6
IP(EA), eV:	-6.36(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-3-thiophen-2-yl-3H-2-benzofuran-1-imine

Drug info:

PubChemData

Smile

C=C1CP1C2=CC=CC=C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]

DOS

IR

Vibrations