Geometry & MOs

Info

ID:	164408
PubChem CID:	74396539
Reduced:	ON2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	484.135782
ΔH_f, kcal/mol:	35.75
Dipole, Da:	4.23
IP(EA), eV:	-9.78(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-diphenyl-5-(pyrrol-2-ylidenemethylamino)thieno[2,3-c]pyridazin-6-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C1CC(C1)C2=NC(=O)C3C=CC=CC3=N2

DOS

IR

Vibrations