Geometry & MOs

Info

ID:	80635
PubChem CID:	49835656
Reduced:	FON9C23H26 (1)
Stoich.:	ABC9D23E26 (1)
Weight, g/mol:	438.166505
ΔH_f, kcal/mol:	68.19
Dipole, Da:	3.21
IP(EA), eV:	-8.77(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-[6-(2H-tetrazol-5-yl)pyridin-3-yl]imidazo[4,5-c]quinolin-2-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC(=NC(=N2)NC3=NNC(=C3)C4=CC=CO4)N(C)CC5=CC=C(C=C5)F

DOS

IR

Vibrations