Geometry & MOs

Info

ID:	325237
PubChem CID:	126682234
Reduced:	ClFN4H14C17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	395.151288
ΔH_f, kcal/mol:	31.8
Dipole, Da:	4.85
IP(EA), eV:	-9.32(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(4-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline

Drug info:

PubChemData

Smile

C1CC(CC1N2C(=NC3=CN=C4C=CC(=CC4=C32)Cl)CC#N)F

DOS

IR

Vibrations