Geometry & MOs

Info

ID:	165936
PubChem CID:	74616843
Reduced:	N3O4C25H27 (1)
Stoich.:	A3B4C25D27 (1)
Weight, g/mol:	496.199822
ΔH_f, kcal/mol:	-42.59
Dipole, Da:	17.81
IP(EA), eV:	-7.83(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzofuran-2-carbonyl)-1-[2-(dimethylazaniumyl)ethyl]-5-oxo-2-(4-phenylmethoxyphenyl)-2H-pyrrol-4-olate

Drug info:

PubChemData

Smile

C[NH+](C)CCN1C(C(=C(C1=O)[O-])C(=O)C2=CC3=CC=CC=C3O2)C4=CC=C(C=C4)N(C)C

DOS

IR

Vibrations