Geometry & MOs

Info

ID:	445275
PubChem CID:	135265748
Reduced:	O3N4H26C27 (1)
Stoich.:	A3B4C26D27 (1)
Weight, g/mol:	143.094629
ΔH_f, kcal/mol:	-19.86
Dipole, Da:	4.69
IP(EA), eV:	-8.82(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(ethylideneamino)pent-3-ene-1,1-diol

Drug info:

PubChemData

Smile

CCC1=CC(=NC=C1C2=CN=C(C=C2)C3=NC=C(N3)C4=CC=CC=C4)OCC5(CCC5)C(=O)O

DOS

IR

Vibrations