Geometry & MOs

Info

ID:	172843
PubChem CID:	75559201
Reduced:	N3O3H19C22 (1)
Stoich.:	A3B3C19D22 (1)
Weight, g/mol:	418.12772
ΔH_f, kcal/mol:	22.69
Dipole, Da:	8.31
IP(EA), eV:	-8.25(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-N-[(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-5-nitro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=CC=CC=C2)C=NNC(=O)C3=CC4=C(O3)C(=CC=C4)OC

DOS

IR

Vibrations