Geometry & MOs

Info

ID:	48430
PubChem CID:	10547926
Reduced:	N2O5C21H22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	383.184506
ΔH_f, kcal/mol:	-138.68
Dipole, Da:	2.53
IP(EA), eV:	-8.37(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(1-benzyl-2-oxo-3-pent-4-enylpiperidin-3-yl)-2-diazonio-1-methoxy-3-oxoprop-1-en-1-olate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)OC)[C@@H]2C3=C(C[C@H](N2)C(=O)OC)C4=CC=CC=C4N3

DOS

IR

Vibrations