Geometry & MOs

Info

ID:	50337
PubChem CID:	12012858
Reduced:	BON2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	301.085127
ΔH_f, kcal/mol:	-49.24
Dipole, Da:	4.42
IP(EA), eV:	-8.53(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-2-quinolin-3-ylquinoline

Drug info:

PubChemData

Smile

B1(C2=C(C3=CC=CC=C3C=C2)NC(=N1)CC)O

DOS

IR

Vibrations