Geometry & MOs

Info

ID:	2023
PubChem CID:	5612
Reduced:	O3N4H8C13 (1)
Stoich.:	A3B4C8D13 (1)
Weight, g/mol:	268.05964
ΔH_f, kcal/mol:	15.91
Dipole, Da:	4.21
IP(EA), eV:	-9.31(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(3,4,5-trihydroxyphenyl)buta-1,3-diene-1,1,3-tricarbonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1O)O)O)C=C(C#N)C(=C(C#N)C#N)N

DOS

IR

Vibrations