Geometry & MOs

Info

ID:	393472
PubChem CID:	135020703
Reduced:	NO3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	297.205242
ΔH_f, kcal/mol:	-73.06
Dipole, Da:	3.31
IP(EA), eV:	-9.46(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-diazonio-3-(dipentylamino)-1-ethoxy-3-oxoprop-1-en-1-olate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1[C@H](N(C1=O)CCC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations