Geometry & MOs

Info

ID:	64
PubChem CID:	2045
Reduced:	ON4H8C13 (1)
Stoich.:	AB4C8D13 (1)
Weight, g/mol:	236.069811
ΔH_f, kcal/mol:	98.85
Dipole, Da:	5.62
IP(EA), eV:	-9.61(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=C(C#N)C(=C(C#N)C#N)N)O

DOS

IR

Vibrations