Geometry & MOs

Info

ID:	308987
PubChem CID:	126533587
Reduced:	N4H11C13 (2)
Stoich.:	A4B11C13 (2)
Weight, g/mol:	399.20055
ΔH_f, kcal/mol:	208.5
Dipole, Da:	6.03
IP(EA), eV:	-8.62(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-diazonio-5-[2-(2,2-dimethylpropanoyloxy)propan-2-yloxycarbonylamino]-6-oxo-6-propan-2-yloxyhex-1-en-2-olate

Drug info:

PubChemData

Smile

CC(C)NC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C/4\C=C5C(=CN=CC5=N4)C6=CC=CC=N6)N=C2

DOS

IR

Vibrations