Geometry & MOs

Info

ID:	32103
PubChem CID:	4266069
Reduced:	BrN2O2C18H23 (1)
Stoich.:	AB2C2D18E23 (1)
Weight, g/mol:	593.098978
ΔH_f, kcal/mol:	-38.1
Dipole, Da:	4.93
IP(EA), eV:	-9.15(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-chloro-6-nitrophenoxy)phenyl]methyl 3-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzoate

Drug info:

PubChemData

Smile

CCCCCC1=CCCC1=NNC(=O)COC2=CC(=CC=C2)Br

DOS

IR

Vibrations