Geometry & MOs

Info

ID:	395873
PubChem CID:	135026812
Reduced:	O2C9H11 (2)
Stoich.:	A2B9C11 (2)
Weight, g/mol:	360.155946
ΔH_f, kcal/mol:	-139.18
Dipole, Da:	4.84
IP(EA), eV:	-9.58(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z)-3-[benzyl-[(E)-1,4-diethoxy-1,4-dioxobut-2-en-2-yl]amino]-2-hydroxyprop-1-ene-1-diazonium

Drug info:

PubChemData

Smile

CC1=C2C[C@@H]3[C@@](C=C2OC1=O)([C@@H]4C[C@@H]4[C@]35COC(O5)(C)C)C

DOS

IR

Vibrations