Geometry & MOs

Info

ID:	391823
PubChem CID:	135009946
Reduced:	NO2C7H13 (1)
Stoich.:	AB2C7D13 (1)
Weight, g/mol:	425.0375
ΔH_f, kcal/mol:	-98.23
Dipole, Da:	2.72
IP(EA), eV:	-10.19(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(3-bromo-1-ethoxycarbonyl-2H-quinolin-2-yl)-2-diazonio-1-phenylethenolate

Drug info:

PubChemData

Smile

CC/C=C/[C@H](C)OC(=O)N

DOS

IR

Vibrations