Geometry & MOs

Info

ID:	376431
PubChem CID:	134222444
Reduced:	O2N7C28H33 (1)
Stoich.:	A2B7C28D33 (1)
Weight, g/mol:	312.163791
ΔH_f, kcal/mol:	17.54
Dipole, Da:	4.97
IP(EA), eV:	-8.87(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-8-[2-(4-fluorofuran-2-yl)propyl]cinnoline

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N)N

DOS

IR

Vibrations