Geometry & MOs

Info

ID:	401993
PubChem CID:	135053739
Reduced:	NO2C20H23 (1)
Stoich.:	AB2C20D23 (1)
Weight, g/mol:	285.030504
ΔH_f, kcal/mol:	-65.71
Dipole, Da:	1.75
IP(EA), eV:	-8.7(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-(3-nitrophenyl)cinnoline

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC=C1C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations