Geometry & MOs

Info

ID:	40923
PubChem CID:	8144961
Reduced:	N3O4C20H28 (1)
Stoich.:	A3B4C20D28 (1)
Weight, g/mol:	288.00272
ΔH_f, kcal/mol:	-153.34
Dipole, Da:	3.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.888749
Charge, e:	0

Chem-info

IUPAC name:

N-(3-nitrophenyl)-1-thieno[3,2-b]thiophen-5-ylmethanimine

Drug info:

PubChemData

Smile

CCOC(=O)C1CC[NH+](CC1)CN2C(=O)[C@@H](N(C2=O)C3=CC=C(C=C3)C)C

DOS

IR

Vibrations