Geometry & MOs

Info

ID:	4422
PubChem CID:	11382
Reduced:	NOH6C9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	288.089878
ΔH_f, kcal/mol:	89.36
Dipole, Da:	3.66
IP(EA), eV:	-9.15(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-hydroxyphenyl)-2,3-diisocyanobuta-1,3-dienyl]phenol

Drug info:

PubChemData

Smile

[C-]#[N+]C(=CC1=CC=C(C=C1)O)C(=CC2=CC=C(C=C2)O)[N+]#[C-]

DOS

IR

Vibrations