Geometry & MOs

Info

ID:	321631
PubChem CID:	126666703
Reduced:	FN6H19C21 (1)
Stoich.:	AB6C19D21 (1)
Weight, g/mol:	392.196074
ΔH_f, kcal/mol:	80.56
Dipole, Da:	1.35
IP(EA), eV:	-9.34(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[[1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-yl]methyl]triazol-4-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2=NC3=CN=C4C=CC(=CC4=C3N2[C@@H]5CC[C@@H](C5)F)C#N

DOS

IR

Vibrations